| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.3 | Low | 63.9 | Low | 243 Ų | 243 | 143.4 Ų | 143.4 | 100% | 1.197 | 87% | 0.872 | S | S | * | * | 0 | 128.5 | 0 | -77.1 | 177.9 | 166 | 0 | 0 | 108.4 | |||||
| 2 | R | 50.4 | Low | 64.2 | Low | 235 Ų | 235 | 145.4 Ų | 145.4 | 89% | 0.887 | 86% | 0.864 | S | S | * | * | trans | 62.7 | 98.3 | 172.5 | -82.7 | 179.1 | 142.7 | 160.9 | -7 | 117.3 | ||||
| 3 | T | 64.3 | Low | 64.4 | Low | 134 Ų | 134 | 144.2 Ų | 144.2 | 82% | 0.822 | 85% | 0.85 | S | S | * | * | 92.2 | 132.2 | 67 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 4 | E | 50.2 | Low | 63.9 | Low | 200 Ų | 200 | 143.9 Ų | 143.9 | 94% | 0.935 | 84% | 0.843 | S | S | * | * | trans | -73 | 165.4 | -165.6 | -54.2 | -174.9 | 97.9 | 0 | 0 | 115.9 | ||||
| 5 | A | 68.6 | Low | 64.1 | Low | 104 Ų | 104 | 143.3 Ų | 143.3 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -137.2 | 119.2 | 158 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | A | 70.2 | Confident | 63.9 | Low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | -104.1 | 157.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | P | 78.3 | Confident | 63.6 | Low | 131 Ų | 131 | 140.2 Ų | 140.2 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -115.2 | 130.7 | 159.6 | 33.1 | -21.3 | 0 | 0 | 0 | 112.3 | ||||
| 8 | S | 72.7 | Confident | 63.5 | Low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -91.9 | 138.7 | 171.8 | -63.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | D | 59 | Low | 63.5 | Low | 169 Ų | 169 | 135.8 Ų | 135.8 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | 53.1 | 129.9 | 132.1 | -146.6 | -102.8 | 0 | 0 | 0 | 121.8 | ||||
| 10 | G | 68.1 | Low | 63.2 | Low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -177.4 | 117.9 | 163 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 11 | G | 65.2 | Low | 63.1 | Low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | 103.5 | 96 | 149.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 12 | H | 67.4 | Low | 63.3 | Low | 168 Ų | 168 | 130.5 Ų | 130.5 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | 92.4 | 111.3 | 51.1 | -163.8 | 64.5 | 0 | 0 | 0 | 113.9 | |||||
| 13 | L | 65.9 | Low | 63.4 | Low | 129 Ų | 129 | 123.8 Ų | 123.8 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | trans | 83.3 | 109.5 | 153.3 | -55.3 | -177.3 | 0 | 0 | 0 | 123.7 | ||||
| 14 | D | 58.3 | Low | 63 | Low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | 5.8 | 137.3 | 118.8 | -82.5 | -91.3 | 0 | 0 | 0 | 120.2 | |||||
| 15 | V | 67.1 | Low | 63.2 | Low | 134 Ų | 134 | 119.3 Ų | 119.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | 175.2 | 131.1 | 102.6 | 163 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 16 | P | 60.3 | Low | 62.7 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -106.8 | 151.4 | 165.4 | 36.8 | -26.7 | 0 | 0 | 0 | 112.1 | ||||
| 17 | S | 59.2 | Low | 62 | Low | 124 Ų | 124 | 122.4 Ų | 122.4 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | 152 | 120.3 | 150.1 | -177.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 18 | A | 61.6 | Low | 60.9 | Low | 100 Ų | 100 | 120.8 Ų | 120.8 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -168.6 | 136 | 140.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 19 | A | 62.6 | Low | 60.1 | Low | 96 Ų | 96 | 123 Ų | 123 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -86.3 | 177.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 20 | P | 58.6 | Low | 59.7 | Low | 113 Ų | 113 | 120.1 Ų | 120.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -99.9 | 156.1 | -172.7 | 37.9 | -29.3 | 0 | 0 | 0 | 112.9 | ||||
| 21 | T | 60 | Low | 58.8 | Low | 140 Ų | 140 | 122.2 Ų | 122.2 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | 170.6 | 129.4 | 142.9 | 22 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 22 | T | 61.2 | Low | 58.1 | Low | 151 Ų | 151 | 123.2 Ų | 123.2 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -169.5 | 123.2 | 133.3 | 28.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 23 | A | 52.6 | Low | 57.5 | Low | 94 Ų | 94 | 121 Ų | 121 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -74.4 | 155.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 24 | S | 57 | Low | 57 | Low | 122 Ų | 122 | 121.6 Ų | 121.6 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | -177.7 | 130.8 | 126.2 | -78.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 25 | S | 54.1 | Low | 56.4 | Low | 118 Ų | 118 | 122.7 Ų | 122.7 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -62.7 | 141.2 | -179.9 | -39.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 26 | T | 58.1 | Low | 55.5 | Low | 144 Ų | 144 | 122.5 Ų | 122.5 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -152.1 | 130.7 | 138.6 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 27 | S | 53.7 | Low | 54.8 | Low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -78.9 | 164.3 | -173.3 | 26 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 28 | S | 56.3 | Low | 54 | Low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | trans | 109.6 | 103.6 | 136.8 | -158.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 29 | L | 56.3 | Low | 53.2 | Low | 165 Ų | 165 | 126.4 Ų | 126.4 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | 63.2 | 118.8 | 134.3 | -76.8 | 107 | 0 | 0 | 0 | 121.9 | ||||
| 30 | S | 49.5 | Very low | 52.1 | Low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -62.5 | -173.6 | 152.9 | -38.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 31 | P | 50 | Low | 51.5 | Low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | cis | -141.4 | 174.1 | -5.1 | 36.3 | -14.8 | 0 | 0 | 0 | 117.2 | ||||
| 32 | A | 50.5 | Low | 50.8 | Low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | 68.5 | 148.3 | 145 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 33 | P | 53.8 | Low | 50.3 | Low | 123 Ų | 123 | 125.8 Ų | 125.8 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -107.3 | 153.2 | -166.4 | 39.4 | -28.3 | 0 | 0 | 0 | 114.2 | ||||
| 34 | T | 55.9 | Low | 50 | Low | 140 Ų | 140 | 126.4 Ų | 126.4 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -130.8 | 128.5 | 167.8 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 35 | N | 46.2 | Very low | 49.3 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -57.6 | 140.9 | 168.6 | -84.3 | -63.5 | 0 | 0 | 0 | 112.1 | ||||
| 36 | T | 47.2 | Very low | 48.9 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | -105.7 | 114.4 | 167 | 29.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 37 | H | 45.9 | Very low | 48.4 | Very low | 192 Ų | 192 | 128.7 Ų | 128.7 | 89% | 0.889 | 81% | 0.808 | S | S | * | * | trans | -108.8 | 121.1 | 158 | -110.4 | -103.5 | 0 | 0 | 0 | 105.9 | ||||
| 38 | S | 42.2 | Very low | 47.5 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -104.2 | 130 | 172.6 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 39 | S | 45.3 | Very low | 46.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -52.6 | 135.5 | 170.5 | -39.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 40 | D | 40.4 | Very low | 46.1 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | 75.3 | 116.3 | 90.8 | -151.1 | 1.2 | 0 | 0 | 0 | 113.2 | |||||
| 41 | S | 45.7 | Very low | 45.7 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -153.3 | 88.6 | 171.3 | -58.9 | 0 | 0 | 0 | 0 | 106.3 | S43 | S41-S43 PolarHBondContact O-N 3.4Š| ||
| 42 | S | 45.8 | Very low | 45.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -62.2 | 120.4 | 163.7 | -80.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 43 | S | 49.6 | Very low | 45.5 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -149.2 | 127.7 | 149 | 88.5 | 0 | 0 | 0 | 0 | 110.5 | S41 | S41-S43 PolarHBondContact O-N 3.4Š| ||
| 44 | A | 46.5 | Very low | 45.3 | Very low | 107 Ų | 107 | 136 Ų | 136 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -52.9 | 147.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 45 | G | 41.9 | Very low | 44.9 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 178 | 103.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 46 | R | 47.1 | Very low | 45.2 | Very low | 244 Ų | 244 | 138.1 Ų | 138.1 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -76 | 175.4 | -171.8 | -99.1 | 174.7 | 159.4 | -99.6 | 0.8 | 113.4 | ||||
| 47 | P | 45.7 | Very low | 45.6 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | trans | -95.2 | -167.3 | -145.8 | 41.7 | -37.5 | 0 | 0 | 0 | 113.3 | ||||
| 48 | F | 35.8 | Very low | 45.7 | Very low | 179 Ų | 179 | 132 Ų | 132 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 118.4 | 114.2 | 159.1 | -147.7 | -115.1 | 0 | 0 | 0 | 112.2 | ||||
| 49 | L | 44.7 | Very low | 46.1 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | 167 | 116.3 | 117.3 | -84.6 | 149.6 | 0 | 0 | 0 | 111.5 | |||||
| 50 | D | 37.7 | Very low | 46.7 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -50.6 | 139.4 | 158.9 | -175.4 | 41.9 | 0 | 0 | 0 | 111.3 | ||||
| 51 | C | 43 | Very low | 47.2 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -134.8 | 74.8 | 163.3 | -170.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 52 | A | 45.6 | Very low | 48 | Very low | 50 Ų | 50 | 129.3 Ų | 129.3 | 41% | 0.413 | 77% | 0.769 | S | S | . | * | trans | -60.5 | 150.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 53 | Q | 49.6 | Very low | 48.5 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 75.9 | 86.9 | 160.3 | -56.5 | 148.1 | 16.4 | 0 | 0 | 116.3 | ||||
| 54 | N | 48.8 | Very low | 49.2 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | -138.6 | 104.3 | 127.6 | -152.3 | 8.2 | 0 | 0 | 0 | 111.2 | |||||
| 55 | R | 48.1 | Very low | 49.9 | Very low | 222 Ų | 222 | 124.5 Ų | 124.5 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | -65.4 | 136.5 | 167.2 | -63.5 | 177.1 | -168.9 | -138.4 | 1 | 107.5 | ||||
| 56 | T | 52.3 | Low | 51.1 | Low | 127 Ų | 127 | 125.5 Ų | 125.5 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | 173.1 | 144.1 | 121.8 | 45 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 57 | S | 56.4 | Low | 52.2 | Low | 123 Ų | 123 | 118.5 Ų | 118.5 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 87.3 | 95.6 | 159.9 | -47.1 | 0 | 0 | 0 | 0 | 117.5 | ||
| 58 | G | 47.8 | Very low | 53.4 | Low | 70 Ų | 70 | 117.9 Ų | 117.9 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | trans | 130.1 | 4 | 138.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | V60 | G58-V60 PolarHBondContact O-N 2.91Š| ||
| 59 | C | 49.7 | Very low | 55 | Low | 126 Ų | 126 | 114.9 Ų | 114.9 | 85% | 0.851 | 68% | 0.677 | S | S | * | * | trans | -74.1 | 93.7 | 175.6 | 5.8 | 0 | 0 | 0 | 0 | 110.4 | S61 | C59-S61 PolarHBondContact O-N 3.27Å; C59-S61 VanDerWaalsContact O-N 3.14Å | ||
| 60 | V | 59.6 | Low | 56.1 | Low | 119 Ų | 119 | 115 Ų | 115 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | trans | -50.9 | 116.3 | 157.3 | -95.5 | 0 | 0 | 0 | 0 | 108.1 | G58 | G58-V60 PolarHBondContact O-N 2.91Š| ||
| 61 | S | 50.3 | Low | 57.7 | Low | 79 Ų | 79 | 112.3 Ų | 112.3 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | trans | -47.6 | 137.7 | -177 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | C59 A63 L64 | C59-S61 PolarHBondContact O-N 3.27Å; C59-S61 VanDerWaalsContact O-N 3.14Å; S61-A63 PolarHBondContact O-N 3.04Å; S61-L64 PolarHBondContact O-N 3.32Å | ||
| 62 | P | 61.8 | Low | 58.9 | Low | 102 Ų | 102 | 113 Ų | 113 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -51.5 | -15.9 | 175.3 | -25.4 | 32 | 0 | 0 | 0 | 114.5 | N66 | P62-N66 PolarHBondContact O-ND2 3.42Å |
| 63 | A | 57.4 | Low | 59.9 | Low | 69 Ų | 69 | 114.1 Ų | 114.1 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.5 | -40.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S61 N66 D67 | S61-A63 PolarHBondContact O-N 3.04Å; A63-N66 PolarHBondContact O-N 3.4Å; A63-D67 PolarHBondContact O-N 2.99Å |
| 64 | L | 64 | Low | 60.3 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 58% | 0.576 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.6 | -32.6 | -176.2 | -144.9 | 98.9 | 0 | 0 | 0 | 112.5 | S61 N66 D67 I68 | S61-L64 PolarHBondContact O-N 3.32Å; L64-N66 VanDerWaalsContact C-N 3.3Å; L64-N66 PolarHBondContact O-N 3.3Å; L64-D67 PolarHBondContact O-N 3.39Å; L64-I68 PolarHBondContact O-N 3.1Å |
| 65 | A | 61.1 | Low | 61 | Low | 57 Ų | 57 | 114.9 Ų | 114.9 | 47% | 0.471 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67 | -32 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L69 | A65-L69 PolarHBondContact O-N 3.42Å |
| 66 | N | 66.1 | Low | 61.7 | Low | 97 Ų | 97 | 110.9 Ų | 110.9 | 52% | 0.519 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -72.3 | -31.6 | 174.7 | -78.2 | -67 | 0 | 0 | 0 | 112.4 | P62 A63 L64 R70 | P62-N66 PolarHBondContact O-ND2 3.42Å; A63-N66 PolarHBondContact O-N 3.4Å; L64-N66 VanDerWaalsContact C-N 3.3Å; L64-N66 PolarHBondContact O-N 3.3Å; N66-R70 WeakPolarHBondContact O-CB 3.07Å; N66-R70 PolarHBondContact O-N 3.26Å |
| 67 | D | 71.3 | Confident | 62 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 52% | 0.519 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.9 | -38.9 | 176 | -111.9 | -58.8 | 0 | 0 | 0 | 112.8 | A63 L64 R70 T71 | A63-D67 PolarHBondContact O-N 2.99Å; L64-D67 PolarHBondContact O-N 3.39Å; D67-R70 PolarHBondContact O-N 2.76Å; D67-T71 WeakPolarHBondContact O-CB 3.39Å; D67-T71 PolarHBondContact O-N 3.26Å; D67-T71 PolarHBondContact O-OG1 2.9Å |
| 68 | I | 70 | Confident | 62 | Low | 98 Ų | 98 | 112.3 Ų | 112.3 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 176.3 | -63.3 | 171 | 0 | 0 | 0 | 110.8 | L64 T71 M72 | L64-I68 PolarHBondContact O-N 3.1Å; I68-T71 PolarHBondContact O-N 3.45Å; I68-M72 VanDerWaalsContact O-CG 3.24Å; I68-M72 WeakPolarHBondContact O-CG 3.06Å; I68-M72 PolarHBondContact O-N 2.77Å; I68-M72 VanDerWaalsContact O-N 3.08Å |
| 69 | L | 69.3 | Low | 62.5 | Low | 115 Ų | 115 | 117.4 Ų | 117.4 | 60% | 0.602 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.1 | -40.4 | 175.8 | -71.2 | 170.2 | 0 | 0 | 0 | 111.9 | A65 T71 M72 S73 | A65-L69 PolarHBondContact O-N 3.42Å; L69-T71 PolarHBondContact O-N 3.49Å; L69-M72 PolarHBondContact O-N 3.31Å; L69-S73 PolarHBondContact O-N 2.98Å; L69-S73 PolarHBondContact O-OG 3.42Å |
| 70 | R | 68.6 | Low | 62.6 | Low | 152 Ų | 152 | 121.1 Ų | 121.1 | 57% | 0.574 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.5 | -39 | 174.1 | -103.4 | 178.7 | 173.2 | 144.3 | -0.5 | 113 | N66 D67 S73 R74 | N66-R70 WeakPolarHBondContact O-CB 3.07Å; N66-R70 PolarHBondContact O-N 3.26Å; D67-R70 PolarHBondContact O-N 2.76Å; R70-S73 PolarHBondContact O-N 2.86Å; R70-R74 WeakPolarHBondContact O-CG 3.21Å; R70-R74 PolarHBondContact O-N 3.5Å |
| 71 | T | 72.1 | Confident | 61.7 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 53% | 0.534 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.8 | -38.3 | 179.1 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | D67 I68 L69 | D67-T71 WeakPolarHBondContact O-CB 3.39Å; D67-T71 PolarHBondContact O-N 3.26Å; D67-T71 PolarHBondContact O-OG1 2.9Å; I68-T71 PolarHBondContact O-N 3.45Å; L69-T71 PolarHBondContact O-N 3.49Å |
| 72 | M | 67.9 | Low | 61.6 | Low | 134 Ų | 134 | 121.4 Ų | 121.4 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.1 | -36.5 | 174.3 | -67.5 | -87 | 170.5 | 0 | 0 | 111.9 | I68 L69 | I68-M72 VanDerWaalsContact O-CG 3.24Å; I68-M72 WeakPolarHBondContact O-CG 3.06Å; I68-M72 PolarHBondContact O-N 2.77Å; I68-M72 VanDerWaalsContact O-N 3.08Å; L69-M72 PolarHBondContact O-N 3.31Å |
| 73 | S | 65.6 | Low | 60.6 | Low | 73 Ų | 73 | 128.5 Ų | 128.5 | 51% | 0.51 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.9 | -43 | 177.7 | -68.7 | 0 | 0 | 0 | 0 | 113.5 | L69 R70 K75 L76 | L69-S73 PolarHBondContact O-N 2.98Å; L69-S73 PolarHBondContact O-OG 3.42Å; R70-S73 PolarHBondContact O-N 2.86Å; S73-K75 PolarHBondContact O-N 3.49Å; S73-K75 VanDerWaalsContact O-N 3.13Å; S73-L76 PolarHBondContact O-N 3.39Å; S73-L76 VanDerWaalsContact O-N 3.16Å |
| 74 | R | 59.1 | Low | 60.4 | Low | 185 Ų | 185 | 131.7 Ų | 131.7 | 70% | 0.698 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.7 | -21.2 | 178 | -68.3 | -178.5 | -166.4 | 176.3 | 5.7 | 113.5 | R70 L76 | R70-R74 WeakPolarHBondContact O-CG 3.21Å; R70-R74 PolarHBondContact O-N 3.5Å; R74-L76 VanDerWaalsContact C-N 3.33Å |
| 75 | K | 63.6 | Low | 59.2 | Low | 171 Ų | 171 | 132.1 Ų | 132.1 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -5.7 | -179.3 | -150.3 | 159.9 | -175.7 | 173.1 | 0 | 113.8 | S73 | S73-K75 PolarHBondContact O-N 3.49Å; S73-K75 VanDerWaalsContact O-N 3.13Å |
| 76 | L | 61.1 | Low | 58.7 | Low | 137 Ų | 137 | 134.3 Ų | 134.3 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -19.2 | 177 | -69.3 | 173.7 | 0 | 0 | 0 | 113.8 | S73 R74 | S73-L76 PolarHBondContact O-N 3.39Å; S73-L76 VanDerWaalsContact O-N 3.16Å; R74-L76 VanDerWaalsContact C-N 3.33Å |
| 77 | D | 59.4 | Low | 57.9 | Low | 132 Ų | 132 | 138.5 Ų | 138.5 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -87.2 | -10.8 | -179 | -72.8 | -66.1 | 0 | 0 | 0 | 114.6 | Q79 | D77-Q79 PolarHBondContact O-N 3.39Š|
| 78 | N | 55.3 | Low | 56.8 | Low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -92.5 | 22.3 | 179.1 | -163.1 | 54.9 | 0 | 0 | 0 | 114.7 | ||
| 79 | Q | 59.8 | Low | 55.7 | Low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -127.3 | 14 | 179 | -94.4 | -171.7 | 81.8 | 0 | 0 | 114.2 | D77 | D77-Q79 PolarHBondContact O-N 3.39Š|
| 80 | K | 51 | Low | 54.8 | Low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -111.5 | 62 | -175.6 | -159 | 178.3 | -177.3 | -173.6 | 0 | 112.2 | ||||
| 81 | G | 41.4 | Very low | 53.4 | Low | 64 Ų | 64 | 138.8 Ų | 138.8 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | -160.6 | 79.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 82 | T | 47.6 | Very low | 52.7 | Low | 140 Ų | 140 | 141.4 Ų | 141.4 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | 174 | 81.2 | 153.2 | 44.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 83 | R | 41.9 | Very low | 51.7 | Low | 252 Ų | 252 | 143.3 Ų | 143.3 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | trans | -138.9 | 91.9 | 163.8 | -65 | -175.7 | 98.8 | 154.2 | 3 | 108.7 | ||||
| 84 | T | 51.6 | Low | 50.7 | Low | 135 Ų | 135 | 148.9 Ų | 148.9 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -115.4 | 105.1 | 162.8 | 49.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 85 | S | 40.1 | Very low | 50.1 | Low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | 43.3 | 100.1 | 105.7 | -91.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 86 | A | 50.7 | Low | 49 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -155.8 | 104.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 87 | E | 48.8 | Very low | 48.6 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -82.3 | 167.8 | 167.3 | -54 | 172.7 | 130.1 | 0 | 0 | 108.1 | ||||
| 88 | N | 47.8 | Very low | 47.7 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | 98.9 | 114.2 | 161.6 | -100.6 | -0.3 | 0 | 0 | 0 | 121.4 | ||||
| 89 | A | 47.1 | Very low | 47.4 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | 104.3 | 132.2 | 117.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 90 | S | 50.5 | Low | 46.6 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | 77.4 | 105.5 | 154.7 | -153.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 91 | S | 38.7 | Very low | 46.6 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | 51 | 113.3 | 68.6 | -157.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 92 | V | 57.1 | Low | 46.7 | Very low | 141 Ų | 141 | 148 Ų | 148 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | trans | 178 | 138.6 | 135.2 | 159.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 93 | E | 47 | Very low | 46.9 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -73.1 | -172.8 | -174.2 | -64 | -76.3 | 147.3 | 0 | 0 | 113.9 | ||||
| 94 | E | 45.6 | Very low | 47 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | 95.8 | 140.3 | 160.2 | -148.1 | 158.4 | 110.9 | 0 | 0 | 116 | ||||
| 95 | S | 45.1 | Very low | 46.7 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | cis | -162.6 | 154.4 | -28 | 169.4 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 96 | S | 41.3 | Very low | 46.7 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -88.4 | 122.2 | -178.6 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 97 | E | 52.8 | Low | 46.5 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -138.8 | 121.6 | 164.8 | -64.9 | -169 | 152.8 | 0 | 0 | 110.7 | ||||
| 98 | E | 40.6 | Very low | 46.5 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -66.7 | 130 | 172.1 | -63.3 | 169.6 | 94.4 | 0 | 0 | 110.1 | ||||
| 99 | T | 50 | Low | 46.5 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -153.3 | 104.5 | 152.7 | 31.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 100 | E | 41.5 | Very low | 47 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -70.4 | 116.5 | 167.2 | -165.9 | 171.9 | 108.9 | 0 | 0 | 108.5 | ||||
| 101 | S | 51.3 | Low | 47.3 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -146.1 | 120.5 | 163 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 102 | H | 44.6 | Very low | 48.1 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -66.7 | 132.6 | 177.1 | -70.5 | 162.7 | 0 | 0 | 0 | 111.9 | ||||
| 103 | H | 50.8 | Low | 48.1 | Very low | 196 Ų | 196 | 151 Ų | 151 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -144.1 | 119.1 | 150.4 | -131.6 | -81.7 | 0 | 0 | 0 | 111.3 | ||||
| 104 | H | 44 | Very low | 48.7 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -80.2 | 161.7 | 178.3 | -124.2 | -112.6 | 0 | 0 | 0 | 110.9 | ||||
| 105 | H | 44.8 | Very low | 49.3 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | 84.4 | 131.1 | 158.5 | -132.9 | 71.9 | 0 | 0 | 0 | 115.7 | ||||
| 106 | F | 41 | Very low | 49.9 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -162.1 | 139.5 | 23.7 | -150 | -137.5 | 0 | 0 | 0 | 112.2 | ||||
| 107 | Q | 45.6 | Very low | 50.8 | Low | 154 Ų | 154 | 148.3 Ų | 148.3 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -3.9 | 130.2 | 162 | -60.4 | 166.3 | 24.4 | 0 | 0 | 121.8 | ||||
| 108 | S | 49.7 | Very low | 51.1 | Low | 121 Ų | 121 | 145.8 Ų | 145.8 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -170 | 122 | 133 | -89.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 109 | D | 46.7 | Very low | 52 | Low | 158 Ų | 158 | 145.9 Ų | 145.9 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 29.5 | 131.8 | 149.7 | -92.5 | -48.9 | 0 | 0 | 0 | 121.2 | ||
| 110 | S | 58.2 | Low | 52.5 | Low | 87 Ų | 87 | 142.4 Ų | 142.4 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | 121.1 | 29.8 | 154.7 | -45.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 111 | E | 56.9 | Low | 53.4 | Low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -80.1 | -13.9 | -178.3 | -59.7 | -155.9 | 119.8 | 0 | 0 | 115.4 | ||
| 112 | D | 56 | Low | 53.9 | Low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -78.8 | -26.2 | -177.6 | -71.6 | -54.6 | 0 | 0 | 0 | 114.3 | M115 | D112-M115 HydrophobicContact CB-CE 4.48Å; D112-M115 VanDerWaalsContact O-CG 3.31Å; D112-M115 WeakPolarHBondContact O-CG 3.44Å; D112-M115 WeakPolarHBondContact OD1-CE 3.31Å |
| 113 | D | 57.2 | Low | 54.7 | Low | 120 Ų | 120 | 132.1 Ų | 132.1 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -79.9 | -25.9 | 180 | -73.2 | -55 | 0 | 0 | 0 | 113.1 | M116 L117 | D113-M116 PolarHBondContact O-N 2.97Å; D113-L117 PolarHBondContact O-N 3.48Å |
| 114 | K | 58.2 | Low | 55.4 | Low | 163 Ų | 163 | 130.4 Ų | 130.4 | 71% | 0.709 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.6 | -33.9 | -178.1 | -171.9 | 160.5 | 175.3 | -85.6 | 0 | 112.3 | M116 E118 | K114-M116 VanDerWaalsContact C-N 3.35Å; K114-E118 PolarHBondContact O-N 2.91Å |
| 115 | M | 58.1 | Low | 56.8 | Low | 101 Ų | 101 | 133 Ų | 133 | 50% | 0.498 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -76.3 | -20.3 | 177.7 | 62.4 | 167.6 | -168.5 | 0 | 0 | 113.9 | D112 R119 | D112-M115 HydrophobicContact CB-CE 4.48Å; D112-M115 VanDerWaalsContact O-CG 3.31Å; D112-M115 WeakPolarHBondContact O-CG 3.44Å; D112-M115 WeakPolarHBondContact OD1-CE 3.31Å; M115-R119 WeakPolarHBondContact O-CG 3.13Å |
| 116 | M | 58.9 | Low | 58.6 | Low | 125 Ų | 125 | 137.4 Ų | 137.4 | 62% | 0.616 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83.1 | -37.9 | 177.2 | -148 | -90.8 | 168.8 | 0 | 0 | 111.3 | D113 K114 E118 R119 V120 | D113-M116 PolarHBondContact O-N 2.97Å; K114-M116 VanDerWaalsContact C-N 3.35Å; M116-E118 PolarHBondContact O-N 3.06Å; M116-R119 PolarHBondContact O-N 3.46Å; M116-V120 HydrophobicContact CE-CG2 4.23Å; M116-V120 WeakPolarHBondContact O-CG2 3.03Å; M116-V120 PolarHBondContact O-N 3.09Å; M116-V120 VanDerWaalsContact O-N 3.13Å; M116-V120 HydrophobicContact SD-CG2 3.99Å |
| 117 | L | 59.5 | Low | 60.6 | Low | 135 Ų | 135 | 139 Ų | 139 | 71% | 0.707 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -65.2 | -35.3 | 176 | -117.1 | 88.6 | 0 | 0 | 0 | 113.3 | D113 V120 A121 | D113-L117 PolarHBondContact O-N 3.48Å; L117-V120 PolarHBondContact O-N 2.83Å; L117-A121 WeakPolarHBondContact O-CB 3.23Å; L117-A121 PolarHBondContact O-N 3.31Å |
| 118 | E | 58.5 | Low | 62.7 | Low | 129 Ų | 129 | 142.1 Ų | 142.1 | 60% | 0.603 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.4 | -36.2 | 178.8 | -168.4 | 160.9 | -173.8 | 0 | 0 | 112.1 | K114 M116 V120 A121 I122 | K114-E118 PolarHBondContact O-N 2.91Å; M116-E118 PolarHBondContact O-N 3.06Å; E118-V120 PolarHBondContact O-N 3.33Å; E118-A121 PolarHBondContact O-N 3Å; E118-I122 WeakPolarHBondContact O-CD1 3.29Å; E118-I122 VanDerWaalsContact O-CG1 3.28Å; E118-I122 WeakPolarHBondContact O-CG1 3.44Å; E118-I122 PolarHBondContact O-N 3.29Å |
| 119 | R | 60.9 | Low | 64.7 | Low | 194 Ų | 194 | 142.7 Ų | 142.7 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.6 | -32.3 | 173.3 | -69.1 | -178.4 | -172.4 | 176.8 | 5.6 | 112.7 | M115 M116 | M115-R119 WeakPolarHBondContact O-CG 3.13Å; M116-R119 PolarHBondContact O-N 3.46Å |
| 120 | V | 60.4 | Low | 66.9 | Low | 65 Ų | 65 | 141.4 Ų | 141.4 | 39% | 0.394 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -78.1 | -23.1 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | M116 L117 E118 | M116-V120 HydrophobicContact CE-CG2 4.23Å; M116-V120 WeakPolarHBondContact O-CG2 3.03Å; M116-V120 PolarHBondContact O-N 3.09Å; M116-V120 VanDerWaalsContact O-N 3.13Å; M116-V120 HydrophobicContact SD-CG2 3.99Å; L117-V120 PolarHBondContact O-N 2.83Å; E118-V120 PolarHBondContact O-N 3.33Å |
| 121 | A | 60.6 | Low | 68.6 | Low | 57 Ų | 57 | 144.4 Ų | 144.4 | 47% | 0.471 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -77.8 | -27.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L117 E118 G123 | L117-A121 WeakPolarHBondContact O-CB 3.23Å; L117-A121 PolarHBondContact O-N 3.31Å; E118-A121 PolarHBondContact O-N 3Å; A121-G123 VanDerWaalsContact C-N 3.28Å; A121-G123 PolarHBondContact O-N 3.11Å |
| 122 | I | 61.5 | Low | 70.5 | Confident | 130 Ų | 130 | 139 Ų | 139 | 67% | 0.667 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.4 | -21.9 | 175.8 | -63.2 | 161.5 | 0 | 0 | 0 | 111.7 | E118 K124 | E118-I122 WeakPolarHBondContact O-CD1 3.29Å; E118-I122 VanDerWaalsContact O-CG1 3.28Å; E118-I122 WeakPolarHBondContact O-CG1 3.44Å; E118-I122 PolarHBondContact O-N 3.29Å; I122-K124 VanDerWaalsContact C-N 3.34Å; I122-K124 PolarHBondContact O-N 3.47Å |
| 123 | G | 61.1 | Low | 72.5 | Confident | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -2.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | A121 | A121-G123 VanDerWaalsContact C-N 3.28Å; A121-G123 PolarHBondContact O-N 3.11Å |
| 124 | K | 66.4 | Low | 74.5 | Confident | 161 Ų | 161 | 138.7 Ų | 138.7 | 70% | 0.7 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -5.7 | -168.9 | -66.9 | 157.2 | -175 | 173.2 | 0 | 115.1 | I122 | I122-K124 VanDerWaalsContact C-N 3.34Å; I122-K124 PolarHBondContact O-N 3.47Å |
| 125 | R | 72.3 | Confident | 76.4 | Confident | 226 Ų | 226 | 134.6 Ų | 134.6 | 85% | 0.853 | 64% | 0.64 | S | S | * | * | trans | -95 | 103.1 | -178.1 | -64.2 | -170.6 | -179 | 172.6 | 1.9 | 110.7 | K127 | R125-K127 PolarHBondContact O-N 2.95Š| ||
| 126 | R | 81.9 | Confident | 78.3 | Confident | 247 Ų | 247 | 131.6 Ų | 131.6 | 93% | 0.932 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132 | 169.8 | -72.3 | 179.7 | 177 | 159.5 | -0.6 | 109.7 | R128 | R126-R128 PolarHBondContact O-N 3.14Š|
| 127 | K | 83.8 | Confident | 80.1 | Confident | 179 Ų | 179 | 127.3 Ų | 127.3 | 78% | 0.778 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 130.4 | 176 | -161.5 | 78 | 171.9 | -173.8 | 0 | 109.5 | R125 R129 | R125-K127 PolarHBondContact O-N 2.95Å; K127-R129 PolarHBondContact O-N 3.35Å |
| 128 | R | 90 | Very high | 82 | Confident | 219 Ų | 219 | 126.2 Ų | 126.2 | 83% | 0.826 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 131.2 | 174.9 | -174.4 | -175 | -67.8 | 178.2 | -0.8 | 109.4 | R126 | R126-R128 PolarHBondContact O-N 3.14Š|
| 129 | R | 91.3 | Very high | 83.9 | Confident | 134 Ų | 134 | 122.6 Ų | 122.6 | 51% | 0.506 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 133.4 | 171.1 | -71.2 | -173.9 | 175 | 123.2 | 2.9 | 109.5 | K127 W294 W295 | K127-R129 PolarHBondContact O-N 3.35Å; R129-W294 VanDerWaalsContact CZ-O 3.25Å; R129-W294 PolarHBondContact NE-O 3.34Å; R129-W294 VanDerWaalsContact NH2-CB 3.31Å; R129-W294 PolarHBondContact NH2-O 3.49Å; R129-W295 HydrophobicContact CG-CE3 4.14Å; R129-W295 HydrophobicContact CG-CZ3 4.02Å |
| 130 | I | 92.5 | Very high | 85.7 | Confident | 130 Ų | 130 | 113.4 Ų | 113.4 | 67% | 0.667 | 54% | 0.544 | S | S | * | . | trans | -110.9 | 129.2 | 177.2 | -58 | 174.2 | 0 | 0 | 0 | 107.2 | ||||
| 131 | L | 95 | Very high | 87.5 | Confident | 151 Ų | 151 | 114.2 Ų | 114.2 | 79% | 0.791 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -95.9 | 146.5 | 174.4 | -61.7 | 175.8 | 0 | 0 | 0 | 109.6 | ||
| 132 | F | 96.5 | Very high | 89.3 | Confident | 63 Ų | 63 | 117 Ų | 117 | 28% | 0.276 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 145.3 | 170 | -57.8 | -43.5 | 0 | 0 | 0 | 110.6 | Q136 L140 L164 Q168 W172 | F132-Q136 HydrophobicContact CB-CB 4.19Å; F132-L140 HydrophobicContact CD2-CD1 4.34Å; F132-L164 HydrophobicContact CD1-CD1 4.14Å; F132-L164 HydrophobicContact CD1-CD2 3.77Å; F132-L164 HydrophobicContact CE1-CD1 4.07Å; F132-L164 HydrophobicContact CE1-CD2 3.7Å; F132-Q168 HydrophobicContact CE1-CB 4.32Å; F132-Q168 HydrophobicContact CE1-CG 4.4Å; F132-Q168 HydrophobicContact CZ-CB 4.03Å; F132-Q168 HydrophobicContact CZ-CG 4.34Å; F132-W172 AromaticContact CD2-CD1 3.82Å; F132-W172 HydrophobicContact CE2-CB 4.25Å; F132-W172 AromaticContact CE2-CD1 3.68Å; F132-W172 HydrophobicContact CE2-CG 4.3Å |
| 133 | S | 98.1 | Very high | 91 | Very high | 63 Ų | 63 | 114.5 Ų | 114.5 | 44% | 0.441 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -62 | 160.2 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | S135 Q136 T137 | S133-S135 VanDerWaalsContact C-N 3.3Å; S133-S135 PolarHBondContact O-N 2.82Å; S133-S135 PolarHBondContact OG-OG 3.04Å; S133-Q136 PolarHBondContact O-N 3.29Å; S133-T137 PolarHBondContact O-N 2.73Å; S133-T137 PolarHBondContact O-OG1 3.28Å |
| 134 | K | 98.2 | Very high | 92.8 | Very high | 171 Ų | 171 | 111.6 Ų | 111.6 | 74% | 0.743 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 176.4 | -171.9 | 63.3 | 174 | 178.9 | 0 | 111.8 | T137 F138 | K134-T137 PolarHBondContact O-N 3.09Å; K134-F138 WeakPolarHBondContact O-CB 3.37Å; K134-F138 PolarHBondContact O-N 3.24Å |
| 135 | S | 98.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 112.1 Ų | 112.1 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 176.8 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | S133 T137 F138 E139 | S133-S135 VanDerWaalsContact C-N 3.3Å; S133-S135 PolarHBondContact O-N 2.82Å; S133-S135 PolarHBondContact OG-OG 3.04Å; S135-T137 VanDerWaalsContact C-N 3.35Å; S135-T137 PolarHBondContact O-N 2.96Å; S135-F138 PolarHBondContact O-N 3.06Å; S135-E139 PolarHBondContact O-N 2.92Å; S135-E139 VanDerWaalsContact O-N 3.12Å |
| 136 | Q | 98.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 107.2 Ų | 107.2 | 18% | 0.182 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.6 | -69.3 | 176.3 | -39.2 | 0 | 0 | 110.9 | F132 S133 F138 E139 L140 L162 | F132-Q136 HydrophobicContact CB-CB 4.19Å; S133-Q136 PolarHBondContact O-N 3.29Å; Q136-F138 PolarHBondContact O-N 3.33Å; Q136-E139 PolarHBondContact O-N 3.26Å; Q136-L140 WeakPolarHBondContact O-CB 3.35Å; Q136-L140 WeakPolarHBondContact O-CD1 3.36Å; Q136-L140 VanDerWaalsContact O-CG 3.23Å; Q136-L140 WeakPolarHBondContact O-CG 3.45Å; Q136-L140 PolarHBondContact O-N 2.83Å; Q136-L162 PolarHBondContact NE2-O 3.25Å |
| 137 | T | 98 | Very high | 96.2 | Very high | 35 Ų | 35 | 98.9 Ų | 98.9 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 179.2 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | S133 K134 S135 L140 E141 | S133-T137 PolarHBondContact O-N 2.73Å; S133-T137 PolarHBondContact O-OG1 3.28Å; K134-T137 PolarHBondContact O-N 3.09Å; S135-T137 VanDerWaalsContact C-N 3.35Å; S135-T137 PolarHBondContact O-N 2.96Å; T137-L140 PolarHBondContact O-N 3.47Å; T137-E141 HydrophobicContact CG2-CG 4.44Å; T137-E141 WeakPolarHBondContact O-CB 3.41Å; T137-E141 WeakPolarHBondContact O-CG 3.13Å; T137-E141 PolarHBondContact O-N 2.62Å |
| 138 | F | 98.3 | Very high | 96.9 | Very high | 112 Ų | 112 | 94.6 Ų | 94.6 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 178.2 | 174.1 | -98 | 0 | 0 | 0 | 112.6 | K134 S135 Q136 E141 R142 | K134-F138 WeakPolarHBondContact O-CB 3.37Å; K134-F138 PolarHBondContact O-N 3.24Å; S135-F138 PolarHBondContact O-N 3.06Å; Q136-F138 PolarHBondContact O-N 3.33Å; F138-E141 PolarHBondContact O-N 2.76Å; F138-R142 WeakPolarHBondContact O-CB 3.45Å; F138-R142 PolarHBondContact O-N 2.81Å |
| 139 | E | 98.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 91.7 Ų | 91.7 | 25% | 0.248 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 178.3 | -77.9 | -63.5 | 145.4 | 0 | 0 | 112.4 | S135 Q136 R142 R143 L162 | S135-E139 PolarHBondContact O-N 2.92Å; S135-E139 VanDerWaalsContact O-N 3.12Å; Q136-E139 PolarHBondContact O-N 3.26Å; E139-R142 PolarHBondContact O-N 2.81Å; E139-R142 IonicContact OE1-NH1 2.76Å; E139-R142 PolarHBondContact OE1-NH1 3.14Å; E139-R142 IonicContact OE2-NH1 3.39Å; E139-R143 PolarHBondContact O-N 2.89Å; E139-L162 HydrophobicContact CB-CD1 4.17Å; E139-L162 HydrophobicContact CB-CD2 3.52Å; E139-L162 HydrophobicContact CB-CG 4.44Å; E139-L162 HydrophobicContact CG-CD2 3.95Å |
| 140 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 172 | -72.5 | 165.9 | 0 | 0 | 0 | 111.3 | F132 Q136 T137 R143 F144 L158 L162 L164 V169 W172 F173 | F132-L140 HydrophobicContact CD2-CD1 4.34Å; Q136-L140 WeakPolarHBondContact O-CB 3.35Å; Q136-L140 WeakPolarHBondContact O-CD1 3.36Å; Q136-L140 VanDerWaalsContact O-CG 3.23Å; Q136-L140 WeakPolarHBondContact O-CG 3.45Å; Q136-L140 PolarHBondContact O-N 2.83Å; T137-L140 PolarHBondContact O-N 3.47Å; L140-R143 PolarHBondContact O-N 3.32Å; L140-F144 WeakPolarHBondContact O-CB 3.34Å; L140-F144 PolarHBondContact O-N 3.35Å; L140-L158 HydrophobicContact CD2-CD2 4.1Å; L140-L162 HydrophobicContact CD1-CD1 4.5Å; L140-L162 HydrophobicContact CD2-CD1 3.8Å; L140-L162 HydrophobicContact CG-CD1 3.67Å; L140-L164 HydrophobicContact CD1-CD1 4.23Å; L140-V169 HydrophobicContact CD2-CG1 4.23Å; L140-V169 HydrophobicContact CD2-CG2 4.44Å; L140-W172 VanDerWaalsContact C-CH2 3.47Å; L140-W172 HydrophobicContact CB-CD2 3.87Å; L140-W172 HydrophobicContact CB-CE3 3.88Å; L140-W172 HydrophobicContact CB-CH2 3.68Å; L140-W172 HydrophobicContact CB-CZ2 3.62Å; L140-W172 HydrophobicContact CB-CZ3 3.8Å; L140-W172 HydrophobicContact CD1-CD2 3.87Å; L140-W172 HydrophobicContact CD1-CG 3.84Å; L140-W172 HydrophobicContact CD2-CD2 4.26Å; L140-W172 HydrophobicContact CD2-CE3 4.13Å; L140-W172 HydrophobicContact CG-CD2 4.21Å; L140-W172 HydrophobicContact CG-CE3 4.4Å; L140-F173 HydrophobicContact CD2-CE2 4.16Å |
| 141 | E | 98.3 | Very high | 97.8 | Very high | 83 Ų | 83 | 82.9 Ų | 82.9 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 176.4 | -73.1 | 175.8 | -180 | 0 | 0 | 112.4 | T137 F138 F144 R145 W172 | T137-E141 HydrophobicContact CG2-CG 4.44Å; T137-E141 WeakPolarHBondContact O-CB 3.41Å; T137-E141 WeakPolarHBondContact O-CG 3.13Å; T137-E141 PolarHBondContact O-N 2.62Å; F138-E141 PolarHBondContact O-N 2.76Å; E141-F144 PolarHBondContact O-N 3.44Å; E141-R145 WeakPolarHBondContact O-CG 3.07Å; E141-R145 PolarHBondContact O-N 2.94Å; E141-W172 HydrophobicContact CG-CH2 3.98Å; E141-W172 HydrophobicContact CG-CZ2 3.81Å |
| 142 | R | 98.2 | Very high | 98 | Very high | 114 Ų | 114 | 78.1 Ų | 78.1 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.9 | -50.6 | 174.9 | -178.2 | -176 | 179.2 | -168.6 | 1.3 | 111.1 | F138 E139 R145 Q146 | F138-R142 WeakPolarHBondContact O-CB 3.45Å; F138-R142 PolarHBondContact O-N 2.81Å; E139-R142 PolarHBondContact O-N 2.81Å; E139-R142 IonicContact OE1-NH1 2.76Å; E139-R142 PolarHBondContact OE1-NH1 3.14Å; E139-R142 IonicContact OE2-NH1 3.39Å; R142-R145 PolarHBondContact O-N 2.85Å; R142-Q146 PolarHBondContact O-N 2.96Å |
| 143 | R | 97.9 | Very high | 98 | Very high | 78 Ų | 78 | 79.3 Ų | 79.3 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.8 | -72.8 | -70.5 | 179.4 | 168 | 0.4 | 112 | E139 L140 R145 Q146 Q147 L158 R161 F173 | E139-R143 PolarHBondContact O-N 2.89Å; L140-R143 PolarHBondContact O-N 3.32Å; R143-R145 VanDerWaalsContact C-N 3.28Å; R143-R145 PolarHBondContact O-N 3.34Å; R143-Q146 PolarHBondContact O-N 2.82Å; R143-Q146 VanDerWaalsContact O-N 3.11Å; R143-Q147 PolarHBondContact O-N 2.82Å; R143-L158 HydrophobicContact CB-CD2 4.03Å; R143-L158 HydrophobicContact CG-CD1 3.83Å; R143-L158 HydrophobicContact CG-CD2 4.03Å; R143-R161 VanDerWaalsContact NH2-NH2 3.19Å; R143-F173 HydrophobicContact CB-CZ 4.32Å |
| 144 | F | 98.2 | Very high | 98.1 | Very high | 8 Ų | 8 | 79.5 Ų | 79.5 | 4% | 0.035 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63 | -32.4 | 176.9 | -174.8 | -99.2 | 0 | 0 | 0 | 113.6 | L140 E141 Q146 K148 W172 F173 H176 R177 | L140-F144 WeakPolarHBondContact O-CB 3.34Å; L140-F144 PolarHBondContact O-N 3.35Å; E141-F144 PolarHBondContact O-N 3.44Å; F144-Q146 VanDerWaalsContact C-N 3.31Å; F144-K148 HydrophobicContact CD1-CD 3.85Å; F144-K148 HydrophobicContact CD2-CD 4.16Å; F144-K148 HydrophobicContact CE1-CD 3.3Å; F144-K148 HydrophobicContact CE2-CB 4.14Å; F144-K148 HydrophobicContact CE2-CD 3.63Å; F144-K148 HydrophobicContact CG-CD 4.27Å; F144-K148 HydrophobicContact CZ-CB 4.37Å; F144-K148 HydrophobicContact CZ-CD 3.18Å; F144-K148 HydrophobicContact CZ-CG 4.34Å; F144-K148 WeakPolarHBondContact O-CD 3.24Å; F144-K148 WeakPolarHBondContact O-CE 3.5Å; F144-K148 PolarHBondContact O-NZ 2.88Å; F144-W172 HydrophobicContact CB-CH2 4.09Å; F144-W172 HydrophobicContact CB-CZ3 3.95Å; F144-W172 HydrophobicContact CD2-CZ3 4.44Å; F144-W172 HydrophobicContact CG-CZ3 4.38Å; F144-F173 HydrophobicContact CB-CE1 4.2Å; F144-F173 HydrophobicContact CB-CZ 4.33Å; F144-F173 AromaticContact CD2-CD1 3.76Å; F144-F173 HydrophobicContact CD2-CD1 3.76Å; F144-F173 AromaticContact CD2-CE1 3.73Å; F144-F173 HydrophobicContact CD2-CE1 3.73Å; F144-F173 HydrophobicContact CE2-CD1 4.38Å; F144-F173 HydrophobicContact CG-CE1 4.47Å; F144-H176 AromaticContact CD1-CD2 3.07Å; F144-H176 WeakPolarHBondContact CD1-CD2 3.43Å; F144-H176 AromaticContact CD1-NE2 2.99Å; F144-H176 WeakPolarHBondContact CD1-NE2 3.43Å; F144-H176 AromaticContact CD2-CD2 3.59Å; F144-H176 AromaticContact CE1-CD2 3.03Å; F144-H176 WeakPolarHBondContact CE1-CD2 3.44Å; F144-H176 AromaticContact CE1-NE2 3.13Å; F144-H176 WeakPolarHBondContact CE1-NE2 3.26Å; F144-H176 AromaticContact CE2-CD2 3.58Å; F144-H176 AromaticContact CG-CD2 3.34Å; F144-H176 WeakPolarHBondContact CG-CD2 3.46Å; F144-H176 AromaticContact CG-NE2 3.66Å; F144-H176 AromaticContact CZ-CD2 3.29Å; F144-H176 WeakPolarHBondContact CZ-CD2 2.99Å; F144-H176 AromaticContact CZ-NE2 3.91Å; F144-R177 HydrophobicContact CE2-CG 3.75Å; F144-R177 HydrophobicContact CZ-CG 4.07Å |
| 145 | R | 97.4 | Very high | 98.1 | Very high | 173 Ų | 173 | 74.4 Ų | 74.4 | 65% | 0.653 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | 174.4 | -77.1 | -174 | -70.6 | 151.5 | -5.3 | 111.8 | E141 R142 R143 | E141-R145 WeakPolarHBondContact O-CG 3.07Å; E141-R145 PolarHBondContact O-N 2.94Å; R142-R145 PolarHBondContact O-N 2.85Å; R143-R145 VanDerWaalsContact C-N 3.28Å; R143-R145 PolarHBondContact O-N 3.34Å |
| 146 | Q | 97.7 | Very high | 98.1 | Very high | 123 Ų | 123 | 76.1 Ų | 76.1 | 58% | 0.575 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -74.3 | -43.4 | 178.4 | -63.9 | 169.4 | -8.2 | 0 | 0 | 111.6 | R142 R143 F144 | R142-Q146 PolarHBondContact O-N 2.96Å; R143-Q146 PolarHBondContact O-N 2.82Å; R143-Q146 VanDerWaalsContact O-N 3.11Å; F144-Q146 VanDerWaalsContact C-N 3.31Å |
| 147 | Q | 97.8 | Very high | 98.1 | Very high | 72 Ų | 72 | 79 Ų | 79 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | trans | -146.3 | 117.6 | -173 | -173.6 | 173.6 | -27.1 | 0 | 0 | 110.9 | R143 Y149 L150 E154 F173 | R143-Q147 PolarHBondContact O-N 2.82Å; Q147-Y149 VanDerWaalsContact C-N 3.31Å; Q147-Y149 VanDerWaalsContact CG-O 3.23Å; Q147-Y149 WeakPolarHBondContact CG-O 3.17Å; Q147-Y149 PolarHBondContact NE2-O 3.25Å; Q147-Y149 PolarHBondContact O-N 3.11Å; Q147-L150 HydrophobicContact CB-CD2 4.32Å; Q147-L150 HydrophobicContact CG-CD2 4.2Å; Q147-E154 VanDerWaalsContact NE2-CD 3.29Å; Q147-E154 PolarHBondContact NE2-OE1 2.81Å; Q147-E154 VanDerWaalsContact NE2-OE1 3.14Å; Q147-E154 PolarHBondContact NE2-OE2 3.48Å; Q147-E154 PolarHBondContact OE1-OE1 2.88Å; Q147-F173 WeakPolarHBondContact O-CE1 3.34Å | ||
| 148 | K | 97.4 | Very high | 98.1 | Very high | 88 Ų | 88 | 77.5 Ų | 77.5 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -76.2 | -19 | -175.8 | -57.1 | -66.8 | 171 | -154.3 | 0 | 113.6 | F144 R177 | F144-K148 HydrophobicContact CD1-CD 3.85Å; F144-K148 HydrophobicContact CD2-CD 4.16Å; F144-K148 HydrophobicContact CE1-CD 3.3Å; F144-K148 HydrophobicContact CE2-CB 4.14Å; F144-K148 HydrophobicContact CE2-CD 3.63Å; F144-K148 HydrophobicContact CG-CD 4.27Å; F144-K148 HydrophobicContact CZ-CB 4.37Å; F144-K148 HydrophobicContact CZ-CD 3.18Å; F144-K148 HydrophobicContact CZ-CG 4.34Å; F144-K148 WeakPolarHBondContact O-CD 3.24Å; F144-K148 WeakPolarHBondContact O-CE 3.5Å; F144-K148 PolarHBondContact O-NZ 2.88Å; K148-R177 WeakPolarHBondContact O-CD 3.25Å |
| 149 | Y | 98.2 | Very high | 98.1 | Very high | 158 Ų | 158 | 72.3 Ų | 72.3 | 62% | 0.62 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -136.2 | 113.6 | -175.4 | -62.6 | -99.7 | 0 | 0 | 0 | 109.3 | Q147 | Q147-Y149 VanDerWaalsContact C-N 3.31Å; Q147-Y149 VanDerWaalsContact CG-O 3.23Å; Q147-Y149 WeakPolarHBondContact CG-O 3.17Å; Q147-Y149 PolarHBondContact NE2-O 3.25Å; Q147-Y149 PolarHBondContact O-N 3.11Å |
| 150 | L | 97.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 73.5 Ų | 73.5 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | trans | -92.5 | 135.5 | 177.5 | -61.2 | -179.3 | 0 | 0 | 0 | 111.6 | Q147 E154 R155 L158 V169 F173 | Q147-L150 HydrophobicContact CB-CD2 4.32Å; Q147-L150 HydrophobicContact CG-CD2 4.2Å; L150-E154 HydrophobicContact CB-CB 4.43Å; L150-E154 HydrophobicContact CD2-CB 4.34Å; L150-R155 PolarHBondContact O-NH2 2.83Å; L150-L158 HydrophobicContact CD1-CD2 3.77Å; L150-V169 HydrophobicContact CD1-CG1 4.18Å; L150-F173 HydrophobicContact CD1-CD1 4.34Å; L150-F173 HydrophobicContact CD1-CD2 4.03Å; L150-F173 HydrophobicContact CD1-CE1 3.79Å; L150-F173 HydrophobicContact CD1-CE2 3.45Å; L150-F173 VanDerWaalsContact CD1-CE2 3.45Å; L150-F173 HydrophobicContact CD1-CG 4.46Å; L150-F173 HydrophobicContact CD1-CZ 3.32Å; L150-F173 HydrophobicContact CD2-CE1 4.22Å; L150-F173 HydrophobicContact CD2-CZ 4.25Å; L150-F173 HydrophobicContact CG-CD1 4.1Å; L150-F173 HydrophobicContact CG-CE1 3.59Å; L150-F173 HydrophobicContact CG-CE2 4.21Å; L150-F173 HydrophobicContact CG-CZ 3.67Å | ||
| 151 | S | 98.1 | Very high | 98.1 | Very high | 51 Ų | 51 | 79.1 Ų | 79.1 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | trans | -67.4 | 171.9 | 166.4 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | P153 E154 R155 | S151-P153 WeakPolarHBondContact OG-CD 3.44Å; S151-E154 VanDerWaalsContact CB-OE2 3.25Å; S151-E154 WeakPolarHBondContact CB-OE2 3.48Å; S151-E154 PolarHBondContact N-OE2 3.44Å; S151-E154 VanDerWaalsContact OG-CG 3.24Å; S151-E154 WeakPolarHBondContact OG-CG 3.36Å; S151-E154 PolarHBondContact OG-OE2 2.92Å; S151-R155 WeakPolarHBondContact O-CB 3.38Å; S151-R155 PolarHBondContact O-N 3.27Å | ||
| 152 | A | 97.9 | Very high | 98 | Very high | 52 Ų | 52 | 76 Ų | 76 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -53.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E154 R155 E156 | A152-E154 PolarHBondContact O-N 3.33Å; A152-R155 WeakPolarHBondContact O-CB 3.3Å; A152-R155 PolarHBondContact O-N 2.88Å; A152-E156 PolarHBondContact O-N 3.21Å; A152-E156 VanDerWaalsContact O-N 3.15Å |
| 153 | P | 98 | Very high | 98 | Very high | 88 Ų | 88 | 81.1 Ų | 81.1 | 57% | 0.571 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | -177.4 | 24.3 | -34.7 | 0 | 0 | 0 | 112.8 | S151 R155 E156 E157 | S151-P153 WeakPolarHBondContact OG-CD 3.44Å; P153-R155 PolarHBondContact O-N 3.44Å; P153-E156 PolarHBondContact O-N 3.31Å; P153-E157 PolarHBondContact O-N 3.35Å |
| 154 | E | 98.3 | Very high | 98 | Very high | 67 Ų | 67 | 78.5 Ų | 78.5 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 177.8 | -66.2 | 165.6 | 145.1 | 0 | 0 | 112 | Q147 L150 S151 A152 L158 | Q147-E154 VanDerWaalsContact NE2-CD 3.29Å; Q147-E154 PolarHBondContact NE2-OE1 2.81Å; Q147-E154 VanDerWaalsContact NE2-OE1 3.14Å; Q147-E154 PolarHBondContact NE2-OE2 3.48Å; Q147-E154 PolarHBondContact OE1-OE1 2.88Å; L150-E154 HydrophobicContact CB-CB 4.43Å; L150-E154 HydrophobicContact CD2-CB 4.34Å; S151-E154 VanDerWaalsContact CB-OE2 3.25Å; S151-E154 WeakPolarHBondContact CB-OE2 3.48Å; S151-E154 PolarHBondContact N-OE2 3.44Å; S151-E154 VanDerWaalsContact OG-CG 3.24Å; S151-E154 WeakPolarHBondContact OG-CG 3.36Å; S151-E154 PolarHBondContact OG-OE2 2.92Å; A152-E154 PolarHBondContact O-N 3.33Å; E154-L158 WeakPolarHBondContact O-CB 3.33Å; E154-L158 PolarHBondContact O-N 2.97Å |
| 155 | R | 98.4 | Very high | 98 | Very high | 64 Ų | 64 | 81.4 Ų | 81.4 | 24% | 0.242 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 177.3 | -169.6 | -172.6 | -50.9 | 136.3 | 7.2 | 111.5 | L150 S151 A152 P153 L158 A159 P166 V169 | L150-R155 PolarHBondContact O-NH2 2.83Å; S151-R155 WeakPolarHBondContact O-CB 3.38Å; S151-R155 PolarHBondContact O-N 3.27Å; A152-R155 WeakPolarHBondContact O-CB 3.3Å; A152-R155 PolarHBondContact O-N 2.88Å; P153-R155 PolarHBondContact O-N 3.44Å; R155-L158 PolarHBondContact O-N 3.19Å; R155-A159 WeakPolarHBondContact O-CB 3.42Å; R155-A159 PolarHBondContact O-N 3.18Å; R155-P166 WeakPolarHBondContact CD-O 3.47Å; R155-P166 HydrophobicContact CG-CB 4.25Å; R155-V169 HydrophobicContact CG-CB 3.95Å; R155-V169 HydrophobicContact CG-CG1 3.86Å |
| 156 | E | 98.4 | Very high | 98.1 | Very high | 113 Ų | 113 | 75.6 Ų | 75.6 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.1 | -70.8 | 174.1 | -161.3 | 0 | 0 | 111.6 | A152 P153 A159 S160 P166 | A152-E156 PolarHBondContact O-N 3.21Å; A152-E156 VanDerWaalsContact O-N 3.15Å; P153-E156 PolarHBondContact O-N 3.31Å; E156-A159 PolarHBondContact O-N 3.15Å; E156-S160 WeakPolarHBondContact O-CB 3.33Å; E156-S160 PolarHBondContact O-N 3.42Å; E156-S160 PolarHBondContact O-OG 2.92Å; E156-P166 HydrophobicContact CG-CG 4.16Å |
| 157 | E | 98.4 | Very high | 98.1 | Very high | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.7 | -165.2 | -163 | -165.9 | 0 | 0 | 111.5 | P153 S160 R161 | P153-E157 PolarHBondContact O-N 3.35Å; E157-S160 PolarHBondContact O-N 3.44Å; E157-R161 WeakPolarHBondContact O-CG 3.43Å; E157-R161 PolarHBondContact O-N 3.32Å; E157-R161 VanDerWaalsContact O-N 3.13Å; E157-R161 IonicContact OE1-CZ 3.98Å; E157-R161 IonicContact OE1-NE 3.25Å; E157-R161 IonicContact OE1-NH2 3.68Å; E157-R161 PolarHBondContact OE1-NH2 3.33Å; E157-R161 IonicContact OE2-CZ 3.43Å; E157-R161 IonicContact OE2-NH1 2.6Å; E157-R161 PolarHBondContact OE2-NH1 3.37Å; E157-R161 IonicContact OE2-NH2 3.41Å; E157-R161 PolarHBondContact OE2-NH2 3.04Å |
| 158 | L | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 178 | -174.5 | 56.7 | 0 | 0 | 0 | 112.4 | L140 R143 L150 E154 R155 S160 R161 L162 V169 F173 | L140-L158 HydrophobicContact CD2-CD2 4.1Å; R143-L158 HydrophobicContact CB-CD2 4.03Å; R143-L158 HydrophobicContact CG-CD1 3.83Å; R143-L158 HydrophobicContact CG-CD2 4.03Å; L150-L158 HydrophobicContact CD1-CD2 3.77Å; E154-L158 WeakPolarHBondContact O-CB 3.33Å; E154-L158 PolarHBondContact O-N 2.97Å; R155-L158 PolarHBondContact O-N 3.19Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 3.12Å; L158-R161 PolarHBondContact O-N 2.95Å; L158-L162 HydrophobicContact CD1-CD1 3.76Å; L158-L162 HydrophobicContact CD1-CG 4.03Å; L158-L162 HydrophobicContact CG-CD1 4.04Å; L158-L162 WeakPolarHBondContact O-CG 3.11Å; L158-L162 PolarHBondContact O-N 3Å; L158-L162 VanDerWaalsContact O-N 3.07Å; L158-V169 HydrophobicContact CD2-CG1 4Å; L158-F173 HydrophobicContact CD2-CE2 3.94Å; L158-F173 HydrophobicContact CD2-CZ 4.3Å |
| 159 | A | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R155 E156 R161 L162 R163 L164 P166 V169 | R155-A159 WeakPolarHBondContact O-CB 3.42Å; R155-A159 PolarHBondContact O-N 3.18Å; E156-A159 PolarHBondContact O-N 3.15Å; A159-R161 PolarHBondContact O-N 2.76Å; A159-L162 PolarHBondContact O-N 3.43Å; A159-R163 PolarHBondContact O-N 3.04Å; A159-L164 CarbonylContact C-O 3.45Å; A159-L164 VanDerWaalsContact CB-O 3.31Å; A159-L164 WeakPolarHBondContact CB-O 3.44Å; A159-L164 PolarHBondContact O-N 3.39Å; A159-P166 HydrophobicContact CB-CG 4.05Å; A159-V169 HydrophobicContact CB-CG2 4.04Å |
| 160 | S | 98.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 67.3 Ų | 67.3 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 179 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | E156 E157 L158 L162 R163 | E156-S160 WeakPolarHBondContact O-CB 3.33Å; E156-S160 PolarHBondContact O-N 3.42Å; E156-S160 PolarHBondContact O-OG 2.92Å; E157-S160 PolarHBondContact O-N 3.44Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 3.12Å; S160-L162 PolarHBondContact O-N 2.6Å; S160-R163 PolarHBondContact O-N 3.47Å |
| 161 | R | 97.8 | Very high | 98.1 | Very high | 117 Ų | 117 | 69.6 Ų | 69.6 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 177.5 | -67.5 | -169.8 | -152.7 | 109.3 | -16 | 112.9 | R143 E157 L158 A159 | R143-R161 VanDerWaalsContact NH2-NH2 3.19Å; E157-R161 WeakPolarHBondContact O-CG 3.43Å; E157-R161 PolarHBondContact O-N 3.32Å; E157-R161 VanDerWaalsContact O-N 3.13Å; E157-R161 IonicContact OE1-CZ 3.98Å; E157-R161 IonicContact OE1-NE 3.25Å; E157-R161 IonicContact OE1-NH2 3.68Å; E157-R161 PolarHBondContact OE1-NH2 3.33Å; E157-R161 IonicContact OE2-CZ 3.43Å; E157-R161 IonicContact OE2-NH1 2.6Å; E157-R161 PolarHBondContact OE2-NH1 3.37Å; E157-R161 IonicContact OE2-NH2 3.41Å; E157-R161 PolarHBondContact OE2-NH2 3.04Å; L158-R161 PolarHBondContact O-N 2.95Å; A159-R161 PolarHBondContact O-N 2.76Å |
| 162 | L | 97.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 68.7 Ų | 68.7 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -91.3 | 0.2 | -176.2 | -59.2 | -176.8 | 0 | 0 | 0 | 114.3 | Q136 E139 L140 L158 A159 S160 L164 | Q136-L162 PolarHBondContact NE2-O 3.25Å; E139-L162 HydrophobicContact CB-CD1 4.17Å; E139-L162 HydrophobicContact CB-CD2 3.52Å; E139-L162 HydrophobicContact CB-CG 4.44Å; E139-L162 HydrophobicContact CG-CD2 3.95Å; L140-L162 HydrophobicContact CD1-CD1 4.5Å; L140-L162 HydrophobicContact CD2-CD1 3.8Å; L140-L162 HydrophobicContact CG-CD1 3.67Å; L158-L162 HydrophobicContact CD1-CD1 3.76Å; L158-L162 HydrophobicContact CD1-CG 4.03Å; L158-L162 HydrophobicContact CG-CD1 4.04Å; L158-L162 WeakPolarHBondContact O-CG 3.11Å; L158-L162 PolarHBondContact O-N 3Å; L158-L162 VanDerWaalsContact O-N 3.07Å; A159-L162 PolarHBondContact O-N 3.43Å; S160-L162 PolarHBondContact O-N 2.6Å; L162-L164 HydrophobicContact CB-CD1 4.16Å; L162-L164 HydrophobicContact CB-CG 4.11Å; L162-L164 PolarHBondContact O-N 3.27Å |
| 163 | R | 98 | Very high | 98.1 | Very high | 221 Ų | 221 | 66.6 Ų | 66.6 | 83% | 0.834 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 43.3 | -173.1 | -52.8 | -61.6 | -172.2 | 178.8 | 1.7 | 111.8 | A159 S160 | A159-R163 PolarHBondContact O-N 3.04Å; S160-R163 PolarHBondContact O-N 3.47Å |
| 164 | L | 97.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | trans | -115.4 | 164.5 | 175 | -64.7 | 179.9 | 0 | 0 | 0 | 109.8 | F132 L140 A159 L162 Q168 V169 | F132-L164 HydrophobicContact CD1-CD1 4.14Å; F132-L164 HydrophobicContact CD1-CD2 3.77Å; F132-L164 HydrophobicContact CE1-CD1 4.07Å; F132-L164 HydrophobicContact CE1-CD2 3.7Å; L140-L164 HydrophobicContact CD1-CD1 4.23Å; A159-L164 CarbonylContact C-O 3.45Å; A159-L164 VanDerWaalsContact CB-O 3.31Å; A159-L164 WeakPolarHBondContact CB-O 3.44Å; A159-L164 PolarHBondContact O-N 3.39Å; L162-L164 HydrophobicContact CB-CD1 4.16Å; L162-L164 HydrophobicContact CB-CG 4.11Å; L162-L164 PolarHBondContact O-N 3.27Å; L164-Q168 HydrophobicContact CB-CB 4.47Å; L164-V169 HydrophobicContact CB-CG2 4.25Å | ||
| 165 | T | 98.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 65.5 Ų | 65.5 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | trans | -80.4 | 148.8 | 170.2 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | T167 Q168 V169 | T165-T167 PolarHBondContact O-N 3.27Å; T165-T167 VanDerWaalsContact O-N 3.13Å; T165-Q168 WeakPolarHBondContact O-CB 3.4Å; T165-Q168 PolarHBondContact O-N 3.39Å; T165-Q168 WeakPolarHBondContact OG1-CB 3.38Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.35Å; T165-Q168 PolarHBondContact OG1-N 3.43Å; T165-Q168 VanDerWaalsContact OG1-N 3.17Å; T165-Q168 PolarHBondContact OG1-OE1 3.46Å; T165-V169 PolarHBondContact O-N 3.49Å; T165-V169 VanDerWaalsContact O-N 3.16Å | ||
| 166 | P | 98.3 | Very high | 98 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.5 | -35.1 | 173 | -26.5 | 34.7 | 0 | 0 | 0 | 112.1 | R155 E156 A159 V169 K170 | R155-P166 WeakPolarHBondContact CD-O 3.47Å; R155-P166 HydrophobicContact CG-CB 4.25Å; E156-P166 HydrophobicContact CG-CG 4.16Å; A159-P166 HydrophobicContact CB-CG 4.05Å; P166-V169 PolarHBondContact O-N 3.37Å; P166-K170 WeakPolarHBondContact O-CB 3.23Å; P166-K170 PolarHBondContact O-N 2.96Å |
| 167 | T | 98.1 | Very high | 97.9 | Very high | 89 Ų | 89 | 62.8 Ų | 62.8 | 55% | 0.546 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 176 | -55.6 | 0 | 0 | 0 | 0 | 112.9 | T165 V169 K170 I171 | T165-T167 PolarHBondContact O-N 3.27Å; T165-T167 VanDerWaalsContact O-N 3.13Å; T167-V169 VanDerWaalsContact C-N 3.34Å; T167-V169 PolarHBondContact O-N 2.98Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 2.92Å; T167-I171 HydrophobicContact CG2-CD1 3.98Å; T167-I171 WeakPolarHBondContact O-CG1 3.45Å; T167-I171 PolarHBondContact O-N 3.25Å |
| 168 | Q | 97.7 | Very high | 97.9 | Very high | 66 Ų | 66 | 64 Ų | 64 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.3 | -78 | 165.2 | -42.5 | 0 | 0 | 111.6 | F132 L164 T165 I171 W172 | F132-Q168 HydrophobicContact CE1-CB 4.32Å; F132-Q168 HydrophobicContact CE1-CG 4.4Å; F132-Q168 HydrophobicContact CZ-CB 4.03Å; F132-Q168 HydrophobicContact CZ-CG 4.34Å; L164-Q168 HydrophobicContact CB-CB 4.47Å; T165-Q168 WeakPolarHBondContact O-CB 3.4Å; T165-Q168 PolarHBondContact O-N 3.39Å; T165-Q168 WeakPolarHBondContact OG1-CB 3.38Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.35Å; T165-Q168 PolarHBondContact OG1-N 3.43Å; T165-Q168 VanDerWaalsContact OG1-N 3.17Å; T165-Q168 PolarHBondContact OG1-OE1 3.46Å; Q168-I171 PolarHBondContact O-N 2.88Å; Q168-W172 WeakPolarHBondContact O-CB 3.44Å; Q168-W172 PolarHBondContact O-N 3.36Å |
| 169 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | L140 L150 R155 L158 A159 L164 T165 P166 T167 I171 W172 F173 | L140-V169 HydrophobicContact CD2-CG1 4.23Å; L140-V169 HydrophobicContact CD2-CG2 4.44Å; L150-V169 HydrophobicContact CD1-CG1 4.18Å; R155-V169 HydrophobicContact CG-CB 3.95Å; R155-V169 HydrophobicContact CG-CG1 3.86Å; L158-V169 HydrophobicContact CD2-CG1 4Å; A159-V169 HydrophobicContact CB-CG2 4.04Å; L164-V169 HydrophobicContact CB-CG2 4.25Å; T165-V169 PolarHBondContact O-N 3.49Å; T165-V169 VanDerWaalsContact O-N 3.16Å; P166-V169 PolarHBondContact O-N 3.37Å; T167-V169 VanDerWaalsContact C-N 3.34Å; T167-V169 PolarHBondContact O-N 2.98Å; V169-I171 PolarHBondContact O-N 2.95Å; V169-W172 PolarHBondContact O-N 3.16Å; V169-F173 HydrophobicContact CG1-CD2 3.77Å; V169-F173 HydrophobicContact CG1-CE2 3.87Å; V169-F173 WeakPolarHBondContact O-CD2 3.33Å; V169-F173 PolarHBondContact O-N 3.17Å |
| 170 | K | 98.2 | Very high | 97.3 | Very high | 113 Ų | 113 | 74.1 Ų | 74.1 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.9 | -49.8 | 175.9 | 179.2 | -177.4 | 174.5 | -177.6 | 0 | 111.6 | P166 T167 F173 Q174 | P166-K170 WeakPolarHBondContact O-CB 3.23Å; P166-K170 PolarHBondContact O-N 2.96Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 2.92Å; K170-F173 PolarHBondContact O-N 3.38Å; K170-Q174 WeakPolarHBondContact O-CB 3.34Å; K170-Q174 PolarHBondContact O-N 3.02Å |
| 171 | I | 97.8 | Very high | 97 | Very high | 76 Ų | 76 | 77.1 Ų | 77.1 | 39% | 0.39 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 179.5 | -68.4 | 168.5 | 0 | 0 | 0 | 110.3 | T167 Q168 V169 F173 Q174 N175 | T167-I171 HydrophobicContact CG2-CD1 3.98Å; T167-I171 WeakPolarHBondContact O-CG1 3.45Å; T167-I171 PolarHBondContact O-N 3.25Å; Q168-I171 PolarHBondContact O-N 2.88Å; V169-I171 PolarHBondContact O-N 2.95Å; I171-F173 PolarHBondContact O-N 3.48Å; I171-Q174 WeakPolarHBondContact O-CB 3.14Å; I171-Q174 PolarHBondContact O-N 3.13Å; I171-N175 WeakPolarHBondContact O-CB 3.44Å; I171-N175 PolarHBondContact O-N 3.46Å |
| 172 | W | 98.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 76.9 Ų | 76.9 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 178.1 | -173.6 | 95.8 | 0 | 0 | 0 | 111.5 | F132 L140 E141 F144 Q168 V169 Q174 N175 H176 | F132-W172 AromaticContact CD2-CD1 3.82Å; F132-W172 HydrophobicContact CE2-CB 4.25Å; F132-W172 AromaticContact CE2-CD1 3.68Å; F132-W172 HydrophobicContact CE2-CG 4.3Å; L140-W172 VanDerWaalsContact C-CH2 3.47Å; L140-W172 HydrophobicContact CB-CD2 3.87Å; L140-W172 HydrophobicContact CB-CE3 3.88Å; L140-W172 HydrophobicContact CB-CH2 3.68Å; L140-W172 HydrophobicContact CB-CZ2 3.62Å; L140-W172 HydrophobicContact CB-CZ3 3.8Å; L140-W172 HydrophobicContact CD1-CD2 3.87Å; L140-W172 HydrophobicContact CD1-CG 3.84Å; L140-W172 HydrophobicContact CD2-CD2 4.26Å; L140-W172 HydrophobicContact CD2-CE3 4.13Å; L140-W172 HydrophobicContact CG-CD2 4.21Å; L140-W172 HydrophobicContact CG-CE3 4.4Å; E141-W172 HydrophobicContact CG-CH2 3.98Å; E141-W172 HydrophobicContact CG-CZ2 3.81Å; F144-W172 HydrophobicContact CB-CH2 4.09Å; F144-W172 HydrophobicContact CB-CZ3 3.95Å; F144-W172 HydrophobicContact CD2-CZ3 4.44Å; F144-W172 HydrophobicContact CG-CZ3 4.38Å; Q168-W172 WeakPolarHBondContact O-CB 3.44Å; Q168-W172 PolarHBondContact O-N 3.36Å; V169-W172 PolarHBondContact O-N 3.16Å; W172-Q174 VanDerWaalsContact C-N 3.27Å; W172-Q174 PolarHBondContact O-N 3.22Å; W172-N175 PolarHBondContact O-N 3Å; W172-H176 HydrophobicContact CD2-CB 4.48Å; W172-H176 HydrophobicContact CE3-CB 4.2Å; W172-H176 HydrophobicContact CH2-CB 4.12Å; W172-H176 AromaticContact CH2-CG 3.73Å; W172-H176 AromaticContact CH2-ND1 3.81Å; W172-H176 HydrophobicContact CZ2-CB 4.43Å; W172-H176 AromaticContact CZ2-ND1 3.89Å; W172-H176 HydrophobicContact CZ3-CB 4.01Å; W172-H176 WeakPolarHBondContact O-CB 3.31Å; W172-H176 PolarHBondContact O-N 3.41Å |
| 173 | F | 98.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 78.3 Ų | 78.3 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 176.8 | -92.2 | -102.6 | 0 | 0 | 0 | 112.3 | L140 R143 F144 Q147 L150 L158 V169 K170 I171 R177 | L140-F173 HydrophobicContact CD2-CE2 4.16Å; R143-F173 HydrophobicContact CB-CZ 4.32Å; F144-F173 HydrophobicContact CB-CE1 4.2Å; F144-F173 HydrophobicContact CB-CZ 4.33Å; F144-F173 AromaticContact CD2-CD1 3.76Å; F144-F173 HydrophobicContact CD2-CD1 3.76Å; F144-F173 AromaticContact CD2-CE1 3.73Å; F144-F173 HydrophobicContact CD2-CE1 3.73Å; F144-F173 HydrophobicContact CE2-CD1 4.38Å; F144-F173 HydrophobicContact CG-CE1 4.47Å; Q147-F173 WeakPolarHBondContact O-CE1 3.34Å; L150-F173 HydrophobicContact CD1-CD1 4.34Å; L150-F173 HydrophobicContact CD1-CD2 4.03Å; L150-F173 HydrophobicContact CD1-CE1 3.79Å; L150-F173 HydrophobicContact CD1-CE2 3.45Å; L150-F173 VanDerWaalsContact CD1-CE2 3.45Å; L150-F173 HydrophobicContact CD1-CG 4.46Å; L150-F173 HydrophobicContact CD1-CZ 3.32Å; L150-F173 HydrophobicContact CD2-CE1 4.22Å; L150-F173 HydrophobicContact CD2-CZ 4.25Å; L150-F173 HydrophobicContact CG-CD1 4.1Å; L150-F173 HydrophobicContact CG-CE1 3.59Å; L150-F173 HydrophobicContact CG-CE2 4.21Å; L150-F173 HydrophobicContact CG-CZ 3.67Å; L158-F173 HydrophobicContact CD2-CE2 3.94Å; L158-F173 HydrophobicContact CD2-CZ 4.3Å; V169-F173 HydrophobicContact CG1-CD2 3.77Å; V169-F173 HydrophobicContact CG1-CE2 3.87Å; V169-F173 WeakPolarHBondContact O-CD2 3.33Å; V169-F173 PolarHBondContact O-N 3.17Å; K170-F173 PolarHBondContact O-N 3.38Å; I171-F173 PolarHBondContact O-N 3.48Å; F173-R177 WeakPolarHBondContact O-CB 3.46Å; F173-R177 VanDerWaalsContact O-CG 3.26Å; F173-R177 WeakPolarHBondContact O-CG 3.24Å; F173-R177 PolarHBondContact O-N 2.99Å; F173-R177 PolarHBondContact O-NE 2.96Å; F173-R177 VanDerWaalsContact O-NE 3.09Å |
| 174 | Q | 97.4 | Very high | 94.9 | Very high | 65 Ų | 65 | 71.9 Ų | 71.9 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.6 | -53.4 | 175 | 176.3 | 171.9 | 26.9 | 0 | 0 | 111.5 | K170 I171 W172 H176 R177 Y178 | K170-Q174 WeakPolarHBondContact O-CB 3.34Å; K170-Q174 PolarHBondContact O-N 3.02Å; I171-Q174 WeakPolarHBondContact O-CB 3.14Å; I171-Q174 PolarHBondContact O-N 3.13Å; W172-Q174 VanDerWaalsContact C-N 3.27Å; W172-Q174 PolarHBondContact O-N 3.22Å; Q174-H176 VanDerWaalsContact C-N 3.27Å; Q174-H176 PolarHBondContact O-N 2.89Å; Q174-R177 PolarHBondContact O-N 3.31Å; Q174-Y178 HydrophobicContact CB-CE2 4.48Å; Q174-Y178 HydrophobicContact CG-CD2 3.73Å; Q174-Y178 HydrophobicContact CG-CE2 3.13Å; Q174-Y178 PolarHBondContact NE2-OH 3.5Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.37Å; Q174-Y178 PolarHBondContact O-N 3.42Å |
| 175 | N | 97.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 76.3 Ų | 76.3 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 177.2 | -72.7 | -9 | 0 | 0 | 0 | 111.4 | I171 W172 Y178 K179 | I171-N175 WeakPolarHBondContact O-CB 3.44Å; I171-N175 PolarHBondContact O-N 3.46Å; W172-N175 PolarHBondContact O-N 3Å; N175-Y178 PolarHBondContact O-N 3.37Å; N175-K179 WeakPolarHBondContact O-CG 3.46Å; N175-K179 PolarHBondContact O-N 3.46Å |
| 176 | H | 97.4 | Very high | 92.5 | Very high | 40 Ų | 40 | 76.1 Ų | 76.1 | 19% | 0.185 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | -179.4 | -166.6 | 81.6 | 0 | 0 | 0 | 111.7 | F144 W172 Q174 Y178 K179 T180 | F144-H176 AromaticContact CD1-CD2 3.07Å; F144-H176 WeakPolarHBondContact CD1-CD2 3.43Å; F144-H176 AromaticContact CD1-NE2 2.99Å; F144-H176 WeakPolarHBondContact CD1-NE2 3.43Å; F144-H176 AromaticContact CD2-CD2 3.59Å; F144-H176 AromaticContact CE1-CD2 3.03Å; F144-H176 WeakPolarHBondContact CE1-CD2 3.44Å; F144-H176 AromaticContact CE1-NE2 3.13Å; F144-H176 WeakPolarHBondContact CE1-NE2 3.26Å; F144-H176 AromaticContact CE2-CD2 3.58Å; F144-H176 AromaticContact CG-CD2 3.34Å; F144-H176 WeakPolarHBondContact CG-CD2 3.46Å; F144-H176 AromaticContact CG-NE2 3.66Å; F144-H176 AromaticContact CZ-CD2 3.29Å; F144-H176 WeakPolarHBondContact CZ-CD2 2.99Å; F144-H176 AromaticContact CZ-NE2 3.91Å; W172-H176 HydrophobicContact CD2-CB 4.48Å; W172-H176 HydrophobicContact CE3-CB 4.2Å; W172-H176 HydrophobicContact CH2-CB 4.12Å; W172-H176 AromaticContact CH2-CG 3.73Å; W172-H176 AromaticContact CH2-ND1 3.81Å; W172-H176 HydrophobicContact CZ2-CB 4.43Å; W172-H176 AromaticContact CZ2-ND1 3.89Å; W172-H176 HydrophobicContact CZ3-CB 4.01Å; W172-H176 WeakPolarHBondContact O-CB 3.31Å; W172-H176 PolarHBondContact O-N 3.41Å; Q174-H176 VanDerWaalsContact C-N 3.27Å; Q174-H176 PolarHBondContact O-N 2.89Å; H176-Y178 PolarHBondContact O-N 3.13Å; H176-K179 PolarHBondContact O-N 3.38Å; H176-T180 PolarHBondContact O-N 3.07Å; H176-T180 PolarHBondContact O-OG1 3.47Å; H176-T180 VanDerWaalsContact O-OG1 3.09Å |
| 177 | R | 96.9 | Very high | 90.8 | Very high | 79 Ų | 79 | 80.6 Ų | 80.6 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 170.9 | -75.5 | 178.5 | -69.7 | 160.8 | 0.3 | 112.7 | F144 K148 F173 Q174 K179 T180 K181 | F144-R177 HydrophobicContact CE2-CG 3.75Å; F144-R177 HydrophobicContact CZ-CG 4.07Å; K148-R177 WeakPolarHBondContact O-CD 3.25Å; F173-R177 WeakPolarHBondContact O-CB 3.46Å; F173-R177 VanDerWaalsContact O-CG 3.26Å; F173-R177 WeakPolarHBondContact O-CG 3.24Å; F173-R177 PolarHBondContact O-N 2.99Å; F173-R177 PolarHBondContact O-NE 2.96Å; F173-R177 VanDerWaalsContact O-NE 3.09Å; Q174-R177 PolarHBondContact O-N 3.31Å; R177-K179 VanDerWaalsContact C-N 3.34Å; R177-K179 PolarHBondContact O-N 2.84Å; R177-T180 PolarHBondContact O-N 3.47Å; R177-K181 WeakPolarHBondContact O-CB 3.22Å; R177-K181 PolarHBondContact O-N 3.4Å |
| 178 | Y | 96.6 | Very high | 89 | Confident | 124 Ų | 124 | 81.1 Ų | 81.1 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.4 | -70.1 | -52.9 | 0 | 0 | 0 | 111.6 | Q174 N175 H176 K181 K182 | Q174-Y178 HydrophobicContact CB-CE2 4.48Å; Q174-Y178 HydrophobicContact CG-CD2 3.73Å; Q174-Y178 HydrophobicContact CG-CE2 3.13Å; Q174-Y178 PolarHBondContact NE2-OH 3.5Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.37Å; Q174-Y178 PolarHBondContact O-N 3.42Å; N175-Y178 PolarHBondContact O-N 3.37Å; H176-Y178 PolarHBondContact O-N 3.13Å; Y178-K181 PolarHBondContact O-N 3.33Å; Y178-K182 VanDerWaalsContact O-CB 3.31Å; Y178-K182 WeakPolarHBondContact O-CB 3.46Å; Y178-K182 PolarHBondContact O-N 2.88Å |
| 179 | K | 92.8 | Very high | 87 | Confident | 151 Ų | 151 | 81.2 Ų | 81.2 | 66% | 0.657 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.8 | -46.4 | 176.5 | -72.4 | 175.7 | 69.2 | 178.3 | 0 | 112.1 | N175 H176 R177 K181 K182 A183 | N175-K179 WeakPolarHBondContact O-CG 3.46Å; N175-K179 PolarHBondContact O-N 3.46Å; H176-K179 PolarHBondContact O-N 3.38Å; R177-K179 VanDerWaalsContact C-N 3.34Å; R177-K179 PolarHBondContact O-N 2.84Å; K179-K181 PolarHBondContact O-N 3.08Å; K179-K182 PolarHBondContact O-N 3.49Å; K179-A183 PolarHBondContact O-N 3.07Å |
| 180 | T | 92.1 | Very high | 84.8 | Confident | 68 Ų | 68 | 84.6 Ų | 84.6 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 177.9 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | H176 R177 K182 A183 T184 | H176-T180 PolarHBondContact O-N 3.07Å; H176-T180 PolarHBondContact O-OG1 3.47Å; H176-T180 VanDerWaalsContact O-OG1 3.09Å; R177-T180 PolarHBondContact O-N 3.47Å; T180-K182 VanDerWaalsContact C-N 3.35Å; T180-K182 PolarHBondContact O-N 3.04Å; T180-A183 PolarHBondContact O-N 3.33Å; T180-T184 PolarHBondContact O-N 3.4Å |
| 181 | K | 91.9 | Very high | 82.7 | Confident | 142 Ų | 142 | 82.9 Ų | 82.9 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.3 | -35.6 | 177.9 | -172.1 | 176.5 | 69.4 | 170.4 | 0 | 112.6 | R177 Y178 K179 T184 | R177-K181 WeakPolarHBondContact O-CB 3.22Å; R177-K181 PolarHBondContact O-N 3.4Å; Y178-K181 PolarHBondContact O-N 3.33Å; K179-K181 PolarHBondContact O-N 3.08Å; K181-T184 PolarHBondContact O-N 3.39Å; K181-T184 PolarHBondContact O-OG1 2.74Å |
| 182 | K | 88.1 | Confident | 80.4 | Confident | 113 Ų | 113 | 83.5 Ų | 83.5 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 177.9 | -174.2 | 51.1 | 172.3 | 152.1 | 0 | 111.2 | Y178 K179 T180 T184 H185 D186 | Y178-K182 VanDerWaalsContact O-CB 3.31Å; Y178-K182 WeakPolarHBondContact O-CB 3.46Å; Y178-K182 PolarHBondContact O-N 2.88Å; K179-K182 PolarHBondContact O-N 3.49Å; T180-K182 VanDerWaalsContact C-N 3.35Å; T180-K182 PolarHBondContact O-N 3.04Å; K182-T184 VanDerWaalsContact C-N 3.26Å; K182-T184 PolarHBondContact O-N 3.34Å; K182-H185 PolarHBondContact O-N 2.95Å; K182-D186 WeakPolarHBondContact CD-OD2 3.33Å; K182-D186 WeakPolarHBondContact CE-OD2 3.49Å; K182-D186 WeakPolarHBondContact CG-OD2 3.48Å; K182-D186 IonicContact NZ-OD1 2.76Å; K182-D186 PolarHBondContact NZ-OD1 3.35Å; K182-D186 IonicContact NZ-OD2 3.42Å; K182-D186 PolarHBondContact NZ-OD2 3.28Å; K182-D186 PolarHBondContact O-N 2.92Å; K182-D186 VanDerWaalsContact O-N 3.1Å |
| 183 | A | 83.1 | Confident | 78.4 | Confident | 48 Ų | 48 | 88.7 Ų | 88.7 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.4 | -20.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K179 T180 | K179-A183 PolarHBondContact O-N 3.07Å; T180-A183 PolarHBondContact O-N 3.33Å |
| 184 | T | 79.6 | Confident | 75.7 | Confident | 87 Ų | 87 | 91.3 Ų | 91.3 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -81.5 | -39.6 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | T180 K181 K182 K187 | T180-T184 PolarHBondContact O-N 3.4Å; K181-T184 PolarHBondContact O-N 3.39Å; K181-T184 PolarHBondContact O-OG1 2.74Å; K182-T184 VanDerWaalsContact C-N 3.26Å; K182-T184 PolarHBondContact O-N 3.34Å; T184-K187 PolarHBondContact O-N 2.95Å |
| 185 | H | 75 | Confident | 72.8 | Confident | 115 Ų | 115 | 91.9 Ų | 91.9 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 177.9 | -176.5 | -79.3 | 0 | 0 | 0 | 112.8 | K182 K187 T188 S189 | K182-H185 PolarHBondContact O-N 2.95Å; H185-K187 PolarHBondContact O-N 3.38Å; H185-T188 PolarHBondContact O-N 2.96Å; H185-T188 PolarHBondContact O-OG1 3.45Å; H185-S189 PolarHBondContact O-N 2.99Å; H185-S189 PolarHBondContact O-OG 2.97Å |
| 186 | D | 70 | Confident | 70.1 | Confident | 64 Ų | 64 | 93.8 Ų | 93.8 | 34% | 0.342 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.3 | -18.4 | 179.4 | -62 | -32.9 | 0 | 0 | 0 | 111.9 | K182 S189 S190 | K182-D186 WeakPolarHBondContact CD-OD2 3.33Å; K182-D186 WeakPolarHBondContact CE-OD2 3.49Å; K182-D186 WeakPolarHBondContact CG-OD2 3.48Å; K182-D186 IonicContact NZ-OD1 2.76Å; K182-D186 PolarHBondContact NZ-OD1 3.35Å; K182-D186 IonicContact NZ-OD2 3.42Å; K182-D186 PolarHBondContact NZ-OD2 3.28Å; K182-D186 PolarHBondContact O-N 2.92Å; K182-D186 VanDerWaalsContact O-N 3.1Å; D186-S189 PolarHBondContact O-OG 3.16Å; D186-S190 WeakPolarHBondContact O-CB 3.42Å; D186-S190 PolarHBondContact O-N 3.13Å |
| 187 | K | 62.7 | Low | 67.8 | Low | 145 Ų | 145 | 99.5 Ų | 99.5 | 63% | 0.63 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.7 | -33 | 173.3 | -125.1 | 107.8 | 78.1 | -177.6 | 0 | 112.6 | T184 H185 A191 | T184-K187 PolarHBondContact O-N 2.95Å; H185-K187 PolarHBondContact O-N 3.38Å; K187-A191 WeakPolarHBondContact O-CB 3.28Å; K187-A191 PolarHBondContact O-N 3.39Å |
| 188 | T | 60.1 | Low | 65.6 | Low | 101 Ų | 101 | 104.4 Ų | 104.4 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.3 | -32.1 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | H185 | H185-T188 PolarHBondContact O-N 2.96Å; H185-T188 PolarHBondContact O-OG1 3.45Å |
| 189 | S | 55.6 | Low | 63.4 | Low | 68 Ų | 68 | 103 Ų | 103 | 48% | 0.476 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -81.8 | -29.6 | 173.9 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | H185 D186 | H185-S189 PolarHBondContact O-N 2.99Å; H185-S189 PolarHBondContact O-OG 2.97Å; D186-S189 PolarHBondContact O-OG 3.16Å |
| 190 | S | 51.9 | Low | 61.4 | Low | 70 Ų | 70 | 99.8 Ų | 99.8 | 49% | 0.49 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -88.6 | -14.5 | 178.6 | -165.4 | 0 | 0 | 0 | 0 | 114.2 | D186 | D186-S190 WeakPolarHBondContact O-CB 3.42Å; D186-S190 PolarHBondContact O-N 3.13Å |
| 191 | A | 53 | Low | 59.7 | Low | 78 Ų | 78 | 108 Ų | 108 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -83.7 | -14.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K187 I193 | K187-A191 WeakPolarHBondContact O-CB 3.28Å; K187-A191 PolarHBondContact O-N 3.39Å; A191-I193 VanDerWaalsContact C-N 3.28Å |
| 192 | A | 51.5 | Low | 58.2 | Low | 89 Ų | 89 | 111.5 Ų | 111.5 | 74% | 0.736 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -80.6 | -7.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 193 | I | 56.2 | Low | 57.2 | Low | 140 Ų | 140 | 114 Ų | 114 | 72% | 0.718 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -116.9 | 105 | 170.8 | -55.8 | -179.2 | 0 | 0 | 0 | 105.6 | A191 | A191-I193 VanDerWaalsContact C-N 3.28Š|
| 194 | G | 40.8 | Very low | 56.5 | Low | 63 Ų | 63 | 117.2 Ų | 117.2 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | trans | -44.6 | 152.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 195 | G | 35.9 | Very low | 56.1 | Low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 69% | 0.691 | S | S | * | * | trans | -55.6 | 176 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 196 | S | 42.1 | Very low | 55.8 | Low | 108 Ų | 108 | 119.9 Ų | 119.9 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | 76.9 | 97.1 | -167.5 | -151 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 197 | L | 48.7 | Very low | 55.6 | Low | 161 Ų | 161 | 124.6 Ų | 124.6 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | -159.2 | 133.1 | 66.5 | -74.5 | 158.8 | 0 | 0 | 0 | 108.6 | |||||
| 198 | M | 50.4 | Low | 55.4 | Low | 181 Ų | 181 | 124 Ų | 124 | 89% | 0.892 | 73% | 0.728 | S | S | * | * | trans | -49.5 | 155.9 | 159 | -62.3 | -73.2 | 179.3 | 0 | 0 | 110.3 | ||||
| 199 | A | 49.9 | Very low | 55.9 | Low | 96 Ų | 96 | 126.8 Ų | 126.8 | 79% | 0.793 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 80.5 | 118.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 200 | S | 51.4 | Low | 56.1 | Low | 83 Ų | 83 | 130.9 Ų | 130.9 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | trans | 60.2 | 83.6 | 142.2 | -147.2 | 0 | 0 | 0 | 0 | 115.7 | R202 | S200-R202 PolarHBondContact O-N 3.44Š| ||
| 201 | R | 56.1 | Low | 56.4 | Low | 240 Ų | 240 | 134.2 Ų | 134.2 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | trans | -65.8 | 70.4 | 157.8 | -66.2 | -178.7 | -177.5 | -105 | 1 | 109.2 | M203 | R201-M203 PolarHBondContact O-N 3.39Š| ||
| 202 | R | 60.7 | Low | 56.4 | Low | 215 Ų | 215 | 135 Ų | 135 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -74.5 | 102.3 | 160.4 | -79 | 179.9 | 178.8 | 153.4 | -1.1 | 105.8 | S200 P204 | S200-R202 PolarHBondContact O-N 3.44Å; R202-P204 WeakPolarHBondContact O-CD 3.41Å | ||
| 203 | M | 66.7 | Low | 56.4 | Low | 165 Ų | 165 | 141.5 Ų | 141.5 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.8 | 165.9 | -71.6 | -71.4 | -82.1 | 0 | 0 | 107.6 | R201 I205 | R201-M203 PolarHBondContact O-N 3.39Å; M203-I205 PolarHBondContact O-N 3.37Å; M203-I205 VanDerWaalsContact O-N 3.11Å |
| 204 | P | 68.9 | Low | 56.5 | Low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 116.7 | 171.1 | -16.6 | 29.3 | 0 | 0 | 0 | 107.8 | R202 P206 | R202-P204 WeakPolarHBondContact O-CD 3.41Å; P204-P206 VanDerWaalsContact O-CD 3.3Å; P204-P206 WeakPolarHBondContact O-CD 3.44Å |
| 205 | I | 71.3 | Confident | 56.8 | Low | 147 Ų | 147 | 144.2 Ų | 144.2 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.7 | 165.6 | -61.3 | 170 | 0 | 0 | 0 | 104.9 | M203 L207 | M203-I205 PolarHBondContact O-N 3.37Å; M203-I205 VanDerWaalsContact O-N 3.11Å; I205-L207 PolarHBondContact O-N 3.46Å |
| 206 | P | 68.8 | Low | 57.2 | Low | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -62.2 | 105.7 | 172.1 | -15.8 | 29.4 | 0 | 0 | 0 | 107.4 | P204 L208 | P204-P206 VanDerWaalsContact O-CD 3.3Å; P204-P206 WeakPolarHBondContact O-CD 3.44Å; P206-L208 PolarHBondContact O-N 3.3Å | ||
| 207 | L | 65.8 | Low | 57.3 | Low | 164 Ų | 164 | 142.9 Ų | 142.9 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -64 | 92.7 | 162.8 | -77.2 | 159.2 | 0 | 0 | 0 | 105.6 | I205 L209 | I205-L207 PolarHBondContact O-N 3.46Å; L207-L209 PolarHBondContact O-N 3.23Å | ||
| 208 | L | 58 | Low | 57.2 | Low | 132 Ų | 132 | 142.9 Ų | 142.9 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -65.3 | 81 | 163 | -91.3 | 170.8 | 0 | 0 | 0 | 107.2 | P206 H210 | P206-L208 PolarHBondContact O-N 3.3Å; L208-H210 PolarHBondContact O-N 3.29Å | ||
| 209 | L | 69.7 | Low | 56.9 | Low | 160 Ų | 160 | 141.2 Ų | 141.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -67.3 | 91.2 | 163.2 | -173.6 | 64.8 | 0 | 0 | 0 | 106.7 | L207 D211 | L207-L209 PolarHBondContact O-N 3.23Å; L209-D211 PolarHBondContact O-N 2.98Å | ||
| 210 | H | 60.3 | Low | 56.5 | Low | 153 Ų | 153 | 147 Ų | 147 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -77.9 | 107.7 | 163 | -84.2 | 63.5 | 0 | 0 | 0 | 107.1 | L208 | L208-H210 PolarHBondContact O-N 3.29Š| ||
| 211 | D | 57.7 | Low | 56 | Low | 141 Ų | 141 | 148.8 Ų | 148.8 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -96.6 | 125.3 | 159.1 | -158 | -56.9 | 0 | 0 | 0 | 108.7 | L209 | L209-D211 PolarHBondContact O-N 2.98Š| ||
| 212 | P | 54.6 | Low | 55.5 | Low | 95 Ų | 95 | 141.8 Ų | 141.8 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | trans | -81.4 | 130.8 | -173.6 | 31.9 | -34.2 | 0 | 0 | 0 | 113.2 | ||||
| 213 | R | 50.2 | Low | 54.5 | Low | 224 Ų | 224 | 140.3 Ų | 140.3 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 50.6 | 121.2 | 145.3 | -54.3 | -176.2 | -159 | -165.1 | 5.2 | 118.8 | C215 | R213-C215 PolarHBondContact O-N 3.49Š| ||
| 214 | P | 58.8 | Low | 53.5 | Low | 132 Ų | 132 | 136.5 Ų | 136.5 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -78.6 | 115.2 | 156.4 | 30.7 | -27.4 | 0 | 0 | 0 | 109.9 | ||||
| 215 | C | 46.1 | Very low | 52.9 | Low | 128 Ų | 128 | 138.8 Ų | 138.8 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -64.2 | 128.6 | 165.5 | -76.4 | 0 | 0 | 0 | 0 | 110 | R213 | R213-C215 PolarHBondContact O-N 3.49Š| ||
| 216 | G | 45 | Very low | 51.8 | Low | 82 Ų | 82 | 138.2 Ų | 138.2 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -79.3 | 153.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 217 | G | 43.6 | Very low | 50.4 | Low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 151.8 | 99.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 218 | M | 47.4 | Very low | 49.6 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | 74.4 | 98.5 | 142.1 | -133.6 | 77.3 | 79.7 | 0 | 0 | 120.8 | ||||
| 219 | Q | 43.8 | Very low | 49.4 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | 23.4 | 127.7 | 132.5 | -49.1 | -179.6 | 1.4 | 0 | 0 | 119.9 | ||||
| 220 | R | 40.8 | Very low | 48.4 | Very low | 216 Ų | 216 | 135.4 Ų | 135.4 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | 166.3 | 126.9 | 106.9 | -83.3 | 161.4 | -142.3 | -105.7 | 4.5 | 112.7 | |||||
| 221 | S | 41.5 | Very low | 48.3 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 16 | 141.3 | 152.4 | -60.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 222 | A | 45.7 | Very low | 48 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 93.5 | 107 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 223 | E | 40.4 | Very low | 47.8 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | 67.7 | 117 | 120.7 | -144.8 | 126.3 | 93 | 0 | 0 | 119.8 | |||||
| 224 | S | 45.9 | Very low | 48.1 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | 116.3 | 133.2 | 121.2 | 79 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 225 | H | 55.1 | Low | 48 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 90 | 108.8 | 149.8 | -55.6 | -60 | 0 | 0 | 0 | 122.4 | ||||
| 226 | N | 48.6 | Very low | 48.3 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 56.6 | 123.6 | 128.4 | -85.2 | -43 | 0 | 0 | 0 | 120.8 | |||||
| 227 | C | 40.2 | Very low | 48.4 | Very low | 129 Ų | 129 | 132 Ų | 132 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | -169.4 | 153.4 | 94.2 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 228 | V | 47.2 | Very low | 49 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | trans | -96.6 | 149.9 | -165.5 | 174.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 229 | S | 53.9 | Low | 49.5 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 179.6 | 95.2 | 133.6 | -78 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 230 | N | 49.9 | Very low | 50.5 | Low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 55.5 | 149.5 | 134.3 | -77.9 | -12.4 | 0 | 0 | 0 | 127.3 | ||||
| 231 | P | 58.2 | Low | 51.3 | Low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -118.8 | -177.2 | -171.2 | 36.1 | -14.6 | 0 | 0 | 0 | 113.8 | ||||
| 232 | V | 51.6 | Low | 51.9 | Low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | 157.8 | 129 | 132.9 | 156.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 233 | S | 48.9 | Very low | 52.4 | Low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 22.4 | 139.6 | 147.3 | -52.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 234 | M | 58.4 | Low | 53.3 | Low | 196 Ų | 196 | 129.1 Ų | 129.1 | 97% | 0.966 | 78% | 0.775 | S | S | * | * | -157.4 | 135.7 | 119.4 | -86.1 | -151.5 | 151 | 0 | 0 | 112.2 | |||||
| 235 | V | 55.5 | Low | 54 | Low | 132 Ų | 132 | 131.4 Ų | 131.4 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -126.7 | 158.8 | 162.6 | -135.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 236 | P | 53.5 | Low | 53.8 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -158.3 | 177 | 83.6 | 38.7 | -15.9 | 0 | 0 | 0 | 117.6 | |||||
| 237 | S | 46.6 | Very low | 53.9 | Low | 94 Ų | 94 | 128.4 Ų | 128.4 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -61.9 | 162.1 | -178.2 | -46.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 238 | A | 55.8 | Low | 54.7 | Low | 106 Ų | 106 | 126.6 Ų | 126.6 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -146.4 | 121 | 142.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 239 | H | 58.4 | Low | 55.3 | Low | 170 Ų | 170 | 127.1 Ų | 127.1 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -104.9 | 132.6 | 173.4 | -57.8 | -120.1 | 0 | 0 | 0 | 106.8 | ||||
| 240 | F | 65.2 | Low | 55.7 | Low | 198 Ų | 198 | 127.8 Ų | 127.8 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -129.9 | 113.4 | 167.3 | -178.2 | -99.9 | 0 | 0 | 0 | 108.7 | ||||
| 241 | S | 57.8 | Low | 56 | Low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -99.5 | 130.4 | 170.3 | -59.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 242 | G | 54 | Low | 56 | Low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | -147.8 | 134.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 243 | L | 55.7 | Low | 56.5 | Low | 175 Ų | 175 | 125.2 Ų | 125.2 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -89.1 | 175.4 | -154.9 | -75.3 | 168.8 | 0 | 0 | 0 | 115.7 | ||||
| 244 | P | 60 | Low | 56.7 | Low | 105 Ų | 105 | 124.3 Ų | 124.3 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | trans | -109.3 | -165.5 | -161.4 | 41.8 | -31.1 | 0 | 0 | 0 | 115.4 | ||||
| 245 | V | 59.2 | Low | 56.8 | Low | 133 Ų | 133 | 122.2 Ų | 122.2 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | 89.8 | 131 | 173.6 | -37.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 246 | D | 50.6 | Low | 57 | Low | 150 Ų | 150 | 125.5 Ų | 125.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | -173.1 | 160 | 53.8 | -161.8 | -117.7 | 0 | 0 | 0 | 112.7 | |||||
| 247 | A | 51.6 | Low | 56.8 | Low | 86 Ų | 86 | 126.4 Ų | 126.4 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 69.5 | 120.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 248 | A | 56.8 | Low | 57.1 | Low | 92 Ų | 92 | 125.9 Ų | 125.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -74.8 | -166.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 249 | P | 59.1 | Low | 57.4 | Low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | cis | -140.8 | -170.1 | 6.9 | 42.4 | -19.6 | 0 | 0 | 0 | 115.1 | ||||
| 250 | P | 62.6 | Low | 57.1 | Low | 130 Ų | 130 | 123.7 Ų | 123.7 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -105.9 | 161.4 | -167.8 | 38.6 | -28.9 | 0 | 0 | 0 | 114.9 | ||||
| 251 | G | 57.1 | Low | 57 | Low | 82 Ų | 82 | 120.5 Ų | 120.5 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 173 | 119.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 252 | A | 57.4 | Low | 56.7 | Low | 108 Ų | 108 | 124.2 Ų | 124.2 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -158.3 | 115.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 253 | V | 61.4 | Low | 56.9 | Low | 144 Ų | 144 | 125.4 Ų | 125.4 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | -85 | 150.4 | 178.8 | -73.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 254 | G | 54.7 | Low | 56.7 | Low | 82 Ų | 82 | 122.8 Ų | 122.8 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -156 | 98.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 255 | L | 59.6 | Low | 56.3 | Low | 151 Ų | 151 | 122.2 Ų | 122.2 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -84.9 | 139.5 | 170.7 | -77.6 | 108.7 | 0 | 0 | 0 | 110.6 | ||||
| 256 | F | 60.1 | Low | 56.2 | Low | 201 Ų | 201 | 120.5 Ų | 120.5 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -150.7 | 135 | 137 | 76.3 | -87.4 | 0 | 0 | 0 | 111.3 | ||||
| 257 | N | 49.5 | Very low | 56.5 | Low | 146 Ų | 146 | 122.2 Ų | 122.2 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | -91.1 | 155.8 | -177.4 | -74 | -61.7 | 0 | 0 | 0 | 111.1 | ||||
| 258 | G | 52 | Low | 56.6 | Low | 83 Ų | 83 | 122.9 Ų | 122.9 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -170 | 92.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 259 | V | 62.2 | Low | 56.4 | Low | 155 Ų | 155 | 121.7 Ų | 121.7 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -81.4 | 149.1 | -174.3 | -102.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 260 | G | 52 | Low | 56.5 | Low | 74 Ų | 74 | 123.2 Ų | 123.2 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 152.6 | 107.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 261 | P | 63.5 | Low | 56.4 | Low | 131 Ų | 131 | 126 Ų | 126 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -112.1 | -163.7 | 178.7 | 40.6 | -29.1 | 0 | 0 | 0 | 113.5 | ||||
| 262 | F | 52.6 | Low | 56.5 | Low | 195 Ų | 195 | 131 Ų | 131 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | 104.3 | 126.1 | 170.3 | -148 | -116.6 | 0 | 0 | 0 | 112 | ||||
| 263 | V | 57.8 | Low | 56.6 | Low | 89 Ų | 89 | 133.8 Ų | 133.8 | 54% | 0.539 | 82% | 0.815 | S | S | . | * | cis | -179.2 | 161.1 | 8.4 | -118.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 264 | T | 49.9 | Very low | 56.2 | Low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 58.6 | 105 | 135.8 | -53.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 265 | A | 53.5 | Low | 56.6 | Low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | 92.5 | 146.6 | 61.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 266 | A | 56.1 | Low | 56.2 | Low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 87.4 | 147.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 267 | Q | 56.2 | Low | 56.2 | Low | 186 Ų | 186 | 133.7 Ų | 133.7 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | cis | -177.1 | 160.8 | -30.4 | -177.5 | 153.1 | 25.4 | 0 | 0 | 105.3 | ||||
| 268 | A | 53.8 | Low | 56.2 | Low | 100 Ų | 100 | 135.1 Ų | 135.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | 85.5 | 125.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 269 | G | 53.4 | Low | 56.3 | Low | 66 Ų | 66 | 137.5 Ų | 137.5 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | cis | 110.6 | 99.6 | 15.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 270 | V | 61.4 | Low | 55.9 | Low | 154 Ų | 154 | 137 Ų | 137 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | trans | -160.5 | 115.7 | 153.7 | -106.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 271 | H | 60.6 | Low | 55.6 | Low | 188 Ų | 188 | 137 Ų | 137 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -58.7 | 140.1 | 165.4 | -97.6 | 55.6 | 0 | 0 | 0 | 112.1 | ||||
| 272 | Q | 59 | Low | 54.9 | Low | 188 Ų | 188 | 135.7 Ų | 135.7 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -174.7 | 148.4 | 146.4 | -82.6 | -129.8 | 13 | 0 | 0 | 106.8 | ||||
| 273 | H | 58.8 | Low | 54.8 | Low | 166 Ų | 166 | 135.4 Ų | 135.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | -164.3 | 138.7 | -7.8 | 171 | -92.2 | 0 | 0 | 0 | 104.2 | ||||
| 274 | H | 54.4 | Low | 54.6 | Low | 165 Ų | 165 | 138 Ų | 138 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -70.7 | 125.5 | -174.1 | -159.1 | 91.9 | 0 | 0 | 0 | 110.7 | ||||
| 275 | Q | 62.2 | Low | 55.2 | Low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -130.5 | 98.4 | 160.1 | -163 | 171.7 | 46.4 | 0 | 0 | 109.5 | ||||
| 276 | A | 51.7 | Low | 55.3 | Low | 70 Ų | 70 | 144.7 Ų | 144.7 | 58% | 0.579 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 124.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 277 | Q | 59.4 | Low | 55.1 | Low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -119 | 96.4 | 156 | -72.4 | -178.3 | 29 | 0 | 0 | 107.1 | ||||
| 278 | Q | 49.4 | Very low | 54.3 | Low | 177 Ų | 177 | 143.6 Ų | 143.6 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -87 | 124.6 | 154.6 | -63.7 | -178.4 | 32.7 | 0 | 0 | 106.3 | ||||
| 279 | V | 55.1 | Low | 53.9 | Low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -179.7 | 125.5 | 136.8 | -85.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 280 | V | 52.7 | Low | 53.5 | Low | 145 Ų | 145 | 152.9 Ų | 152.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | 53.3 | 119 | 149.1 | -52.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 281 | G | 45.2 | Very low | 52.6 | Low | 75 Ų | 75 | 152.4 Ų | 152.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 166.8 | 63.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 282 | S | 50.3 | Low | 51.5 | Low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 37.1 | 114 | 146 | -150.5 | 0 | 0 | 0 | 0 | 118.6 | I284 | S282-I284 VanDerWaalsContact C-N 3.3Å; S282-I284 PolarHBondContact O-N 3.39Å | ||
| 283 | M | 48.9 | Very low | 50.5 | Low | 189 Ų | 189 | 143.9 Ų | 143.9 | 93% | 0.931 | 75% | 0.751 | S | S | * | * | trans | -52.1 | 88.6 | 159.8 | -70.5 | 176.9 | 174.9 | 0 | 0 | 111.1 | R285 | M283-R285 PolarHBondContact O-N 3.44Š| ||
| 284 | I | 53.5 | Low | 49.4 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | -93.1 | 80.3 | 163.2 | -57.5 | 174.1 | 0 | 0 | 0 | 106.5 | S282 P286 | S282-I284 VanDerWaalsContact C-N 3.3Å; S282-I284 PolarHBondContact O-N 3.39Å; I284-P286 WeakPolarHBondContact O-CD 3.31Å | ||
| 285 | R | 62.5 | Low | 48.8 | Very low | 224 Ų | 224 | 148.1 Ų | 148.1 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -71.2 | 119.4 | 157.7 | -84.6 | -179 | 155.9 | 179.2 | -4.9 | 106.7 | M283 S287 | M283-R285 PolarHBondContact O-N 3.44Å; R285-S287 VanDerWaalsContact C-N 3.3Å; R285-S287 PolarHBondContact O-N 3.13Å | ||
| 286 | P | 57.4 | Low | 48.1 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -70 | 94.3 | 175.8 | -12.7 | 28.3 | 0 | 0 | 0 | 108.6 | I284 | I284-P286 WeakPolarHBondContact O-CD 3.31Š| ||
| 287 | S | 51.3 | Low | 47.9 | Very low | 74 Ų | 74 | 151.2 Ų | 151.2 | 52% | 0.517 | 76% | 0.762 | S | S | . | * | trans | -78.4 | 123.5 | 171.8 | -136.1 | 0 | 0 | 0 | 0 | 108.6 | R285 | R285-S287 VanDerWaalsContact C-N 3.3Å; R285-S287 PolarHBondContact O-N 3.13Å | ||
| 288 | Y | 38.2 | Very low | 47.3 | Very low | 188 Ų | 188 | 150 Ų | 150 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | trans | 70.8 | 91.3 | 158.5 | -43.3 | -67.2 | 0 | 0 | 0 | 118.4 | ||||
| 289 | Y | 45.5 | Very low | 47.2 | Very low | 212 Ų | 212 | 148.4 Ų | 148.4 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | -115.9 | 73.4 | 136.1 | -86.4 | -79.2 | 0 | 0 | 0 | 109.5 | Q291 | Y289-Q291 HydrophobicContact CD1-CB 4.13Å; Y289-Q291 PolarHBondContact O-N 3.39Å | ||
| 290 | L | 46.4 | Very low | 46.7 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | -81 | 63.6 | 149.8 | -84.1 | 160.5 | 0 | 0 | 0 | 107.8 | N292 | L290-N292 VanDerWaalsContact C-N 3.29Š| ||
| 291 | Q | 41.8 | Very low | 46.3 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | trans | -102.9 | 42.8 | 163.4 | -157.1 | 95.7 | 43.2 | 0 | 0 | 108.7 | Y289 A293 | Y289-Q291 HydrophobicContact CD1-CB 4.13Å; Y289-Q291 PolarHBondContact O-N 3.39Å; Q291-A293 PolarHBondContact O-N 3.48Å | ||
| 292 | N | 37.1 | Very low | 46.3 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -81.3 | 65 | 169.1 | -70.3 | -26.5 | 0 | 0 | 0 | 108.6 | L290 | L290-N292 VanDerWaalsContact C-N 3.29Š| ||
| 293 | A | 37.6 | Very low | 46 | Very low | 49 Ų | 49 | 159.2 Ų | 159.2 | 41% | 0.405 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -139.5 | 85.4 | 168 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q291 | Q291-A293 PolarHBondContact O-N 3.48Š|
| 294 | W | 37.6 | Very low | 45.8 | Very low | 201 Ų | 201 | 156.7 Ų | 156.7 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | trans | 59.4 | 89.3 | 148.7 | -53.7 | 89.2 | 0 | 0 | 0 | 116.7 | R129 | R129-W294 VanDerWaalsContact CZ-O 3.25Å; R129-W294 PolarHBondContact NE-O 3.34Å; R129-W294 VanDerWaalsContact NH2-CB 3.31Å; R129-W294 PolarHBondContact NH2-O 3.49Å | ||
| 295 | W | 40.6 | Very low | 45.1 | Very low | 218 Ų | 218 | 157.7 Ų | 157.7 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | -132.4 | 0 | 140.8 | -72.5 | 96.8 | 0 | 0 | 0 | 108.8 | R129 | R129-W295 HydrophobicContact CG-CE3 4.14Å; R129-W295 HydrophobicContact CG-CZ3 4.02Å |
Retrieved 295 of 295 residues in 211.9 ms
(Link to these results)